SCHEMBL8832744

SCHEMBL8832744

CCOC(=O)c1cc2cn(C)nc2nc1C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.55
ADORA3 P0DMS8 5/20 0.55
ADORA1 P30542 4/20 0.55
TSHR P16473 3/20 0.42
BAZ2B Q9UIF8 1/20 0.42
BAZ2A Q9UIF9 1/20 0.42
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
JMJD6 Q6NYC1 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.40
CLK1 P49759 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1459312 0.79 ADORA2A (0.55) ADORA2AADORA3ADORA1TSHRBAZ2B
SCHEMBL8832310 0.75 ADORA3 (0.40) ADORA2AADORA3ADORA1TSHRBAZ2B
SCHEMBL8832480 0.74 TSHR (0.44) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL8834185 0.74 ALDH1A1 (0.40) ADORA2AADORA3ADORA1TSHRBAZ2B
SCHEMBL3267578 0.74 TSHR (0.50) ADORA2AADORA3ADORA1TSHRBAZ2B
SCHEMBL4698208 0.74 TSHR (0.50) ADORA2AADORA3ADORA1TSHRBAZ2B
SCHEMBL8832463 0.73 NPC1 (0.46) TSHRCYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL9460326 0.73 ADORA2A (0.49) ADORA2AADORA3ADORA1TSHRBAZ2B
SCHEMBL2385094 0.73 ADORA2A (0.52) ADORA2AADORA3ADORA1CYP1A2CYP2D6
SCHEMBL2516609 0.72 ADORA2A (0.55) ADORA2AADORA3ADORA1CYP1A2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622913-A CONTROLLING PLANT GROWTH AMERICAN CYANAMID COMPANY (US) 1997-04-22 US disclosed
US-5599772-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1997-02-04 US disclosed
US-5599773-A (2-imidazolin-2-yl) fused heteropyridine compounds and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1997-02-04 US disclosed
US-5571773-A PREEMERGENCE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1996-11-05 US disclosed
US-5565412-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID CO. (US) 1996-10-15 US disclosed
US-5565411-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID CO. (US) 1996-10-15 US disclosed
US-5563113-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-10-08 US disclosed
US-5554579-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID CO. (US) 1996-09-10 US disclosed
US-5536702-A (2-imidazolin-2-yl) fused heteropyridine compounds and use of said compounds as herbicidal agents AMERICAN CYANAMID CO. (US) 1996-07-16 US disclosed
US-5536839-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1996-07-16 US disclosed
US-5534483-A (2-imidazolin-2-yl) fused heteropyridine compounds intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-07-09 US disclosed
US-5534485-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-07-09 US disclosed
US-5534484-A (2-imidazolin-2-yl)fused heteropyridine compounds intermediates for the preparation of and use of said compounds and herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-07-09 US disclosed
US-5532207-A CONTROL OF MONO- AND DI-COTYLEDONOUS ANNUAL, PERENNIAL AND AQUATIC PLANTS; PRE- AND POST-EMERGENCE USE AMERICAN CYANAMID COMPANY (US) 1996-07-02 US disclosed
US-5510319-A PYRROLO-2,3-B-PYRIDINYL DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1996-04-23 US disclosed
US-5252538-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1993-10-12 US disclosed
EP-0227932-B1 NOVEL FUSED PYRIDINE COMPOUNDS, INTERMEDIATES FOR THE PREPARATION OF, AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS AMERICAN CYANAMID COMPANY (US) 1993-01-13 EP disclosed
EP-0227932-A1 Novel fused pyridine compounds, intermediates for the preparation of, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1987-07-08 EP disclosed