SCHEMBL4429243

SCHEMBL4429243

COc1ccc(-c2nc(-c3ccncc3)c(-c3ccccc3)n2C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 6/20 0.60
GABRA1 P14867 1/20 0.56
GABRG2 P18507 1/20 0.56
GABRB3 P28472 1/20 0.56
GABRA3 P34903 1/20 0.56
GABRA2 P47869 1/20 0.56
MAPK14 Q16539 5/20 0.54
MAPK13 O15264 4/20 0.54
MAPK12 P53778 4/20 0.54
MAPK11 Q15759 4/20 0.54
GCGR P47871 2/20 0.54
RAF1 P04049 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALOX5 P09917 1/20 0.52
CSF1R P07333 1/20 0.50

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
SCHEMBL5082102 1.00 TEK (0.60) TEKGABRA1GABRG2GABRB3GABRA3
SCHEMBL27881874 0.93 LMNA (0.59) TEKKDM4EALDH1A1LMNANPSR1
SCHEMBL21614233 0.83 ALDH1A1 (0.55) TEKGABRA1GABRG2GABRB3GABRA3
SCHEMBL4426390 0.82 RAF1 (0.57) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL7228732 0.82 RAF1 (0.57) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL822678 0.81 PTGER1 (0.56) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL27934228 0.81 TEK (0.49) TEKGABRA1GABRG2GABRB3GABRA3
SCHEMBL5079652 0.81 MAPK14 (0.59) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL4422522 0.81 MAPK14 (0.59) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL5078877 0.81 MAPK14 (0.53) TEKMAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487436-A4 COMBINATION THERAPY FOR TREATING, PREVENTING OR MANAGING PROLIFERATIVE DISORDERS AND CANCERS SIGNAL PHARM INC (US) 2009-06-03 EP disclosed
EP-1487436-A1 COMBINATION THERAPY FOR TREATING, PREVENTING OR MANAGING PROLIFERATIVE DISORDERS AND CANCERS Signal Pharmaceuticals, Inc. (US) 2004-12-22 EP disclosed
WO-2003075917-A1 COMBINATION THERAPY FOR TREATING, PREVENTING OR MANAGING PROLIFERATIVE DISORDERS AND CANCERS SIGNAL PHARMACEUTICALS, INC. (US) 2003-09-18 WO disclosed
EP-0623126-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-11-09 EP disclosed
WO-1993014081-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-07-22 WO disclosed