SCHEMBL626745

SCHEMBL626745

c1cnn(-c2nc(N3CCCC3)c3cc(C4CCCCC4)ccc3n2)c1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 15/20 0.66
ADORA2A P29274 3/20 0.49
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL627894 1.00 EGLN1 (0.66) EGLN1ADORA2AGLATSHRHSD17B10
SCHEMBL626735 1.00 EGLN1 (0.66) EGLN1ADORA2AGLATSHRHSD17B10
SCHEMBL627189 0.94 EGLN1 (0.67) EGLN1ADORA2A
SCHEMBL16626167 0.92 EGLN1 (0.68) EGLN1GLAGAAHPGD
SCHEMBL16626160 0.92 EGLN1 (0.68) EGLN1ADORA2A
SCHEMBL627010 0.90 EGLN1 (0.69) EGLN1ADORA2A
SCHEMBL21802967 0.83 EGLN1 (0.62) EGLN1ADORA2A
SCHEMBL626312 0.83 ADORA2A (0.54) EGLN1ADORA2AGLATSHRHSD17B10
SCHEMBL626729 0.82 EGLN1 (0.67) EGLN1ADORA2A
SCHEMBL16626253 0.81 EGLN1 (0.67) EGLN1ADORA2AGLATSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006251-B2 4-aminoquinazolin-2-yl-1-pyrrazole-4-carboxylic acid compounds as prolyl hydroxylase inhibitors JANSSEN PHARAMCEUTICA NV (BE) 2015-04-14 US disclosed
EP-2603502-A1 4 - AMINOQUINAZOLIN- 2 - YL - 1 - PYRRAZOLE - 4 - CARBOXYLIC ACID COMPOUNDS AS PROLYL HYDROXYLASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-06-19 EP disclosed
WO-2012021830-A1 4 - AMINOQUINAZOLIN- 2 - YL - 1 - PYRRAZOLE - 4 - CARBOXYLIC ACID COMPOUNDS AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-02-16 WO disclosed