SCHEMBL4964483

SCHEMBL4964483

CCOc1ccc2cc(C#N)cnc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.73
GLA P06280 1/20 0.47
MAPT P10636 5/20 0.46
NPC1 O15118 5/20 0.46
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 5/20 0.46
KDM4E B2RXH2 4/20 0.46
RAB9A P51151 4/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
TSHR P16473 2/20 0.46
KMT2A Q03164 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
CASP1 P29466 1/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
NQO1 P15559 2/20 0.42

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
SCHEMBL29624688 1.00 HPGDS (0.73) HPGDSGLAMAPTNPC1ALDH1A1
SCHEMBL17327692 0.88 HPGDS (0.69) HPGDSMAPTNPC1ALDH1A1HSD17B10
SCHEMBL28120216 0.88 HPGDS (0.56) HPGDSGLAMAPTNPC1ALDH1A1
SCHEMBL31297329 0.84 HPGDS (1.00) HPGDSGLAMAPTALDH1A1HSD17B10
SCHEMBL30979880 0.84 HPGDS (1.00) HPGDSGLAMAPTALDH1A1HSD17B10
SCHEMBL2201992 0.84 HPGDS (1.00) HPGDSGLAMAPTALDH1A1HSD17B10
SCHEMBL27555688 0.84 HPGDS (0.72) HPGDSMAPTALDH1A1KDM4EHPGD
SCHEMBL7565814 0.80 SLC6A2 (0.56) HPGDSGLAMAPTNPC1ALDH1A1
SCHEMBL17316167 0.80 HPGDS (0.62) HPGDSNPC1RAB9APDGFRBPDGFRA
SCHEMBL28878233 0.80 NQO1 (0.53) HPGDSGLAMAPTNPC1ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110357854-A A kind of preparation method of linatinib 江苏创诺制药有限公司 2019-10-22 CN claimed
US-12194031-B2 Compounds for use in regulating follicle maturation AARHUS UNIVERSITET (DK) 2025-01-14 US disclosed
US-20230285375-A1 COMPOUNDS FOR USE IN REGULATING FOLLICLE MATURATION AARHUS UNIVERSITET (DK) 2023-09-14 US disclosed
US-11666561-B2 Compounds for use in regulating follicle maturation AARHUS UNIVERSITET (DK) 2023-06-06 US disclosed
CN-110357855-A A kind of linatinib hydrochloride Form and preparation method thereof 江苏创诺制药有限公司 2019-10-22 CN disclosed
CN-110357854-A A kind of preparation method of linatinib 江苏创诺制药有限公司 2019-10-22 CN disclosed
EP-1888529-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME Wyeth (US) 2008-02-20 EP disclosed
WO-2006124692-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME WYETH (US) 2006-11-23 WO disclosed
EP-1263503-A2 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS AMERICAN CYANAMID COMPANY (US) 2002-12-11 EP disclosed
WO-2001068186-A2 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS AMERICAN CYANAMID COMPANY (US) 2001-09-20 WO disclosed