SCHEMBL4422522

SCHEMBL4422522

Cn1c(-c2ccc(C(=O)O)cc2)nc(-c2ccncc2)c1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.59
CSNK1D P48730 4/20 0.59
PTGER1 P34995 1/20 0.56
ALOX5 P09917 1/20 0.54
MAPK13 O15264 2/20 0.53
GCGR P47871 2/20 0.53
MAPK12 P53778 2/20 0.53
MAPK11 Q15759 2/20 0.53
RARA P10276 1/20 0.47
RARB P10826 1/20 0.47
RARG P13631 1/20 0.47
CDC25A P30304 1/20 0.46
CDC25B P30305 1/20 0.46
TEK Q02763 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CSNK1E P49674 1/20 0.46
DHODH Q02127 1/20 0.45
NSD3 Q9BZ95 1/20 0.45

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
SCHEMBL5079652 1.00 MAPK14 (0.59) MAPK14CSNK1DPTGER1ALOX5MAPK13
SCHEMBL4426390 0.88 RAF1 (0.57) MAPK14CSNK1DPTGER1ALOX5MAPK13
SCHEMBL7228732 0.88 RAF1 (0.57) MAPK14CSNK1DPTGER1ALOX5MAPK13
SCHEMBL7445283 0.88 MAPK14 (0.58) MAPK14CSNK1DPTGER1ALOX5MAPK13
SCHEMBL4426392 0.85 MAPK14 (0.52) MAPK14CSNK1DPTGER1ALOX5MAPK13
SCHEMBL8488765 0.81 MAPK14 (0.55) MAPK14CSNK1DPTGER1ALOX5MAPK13
SCHEMBL4429243 0.81 TEK (0.60) MAPK14CSNK1DPTGER1ALOX5MAPK13
SCHEMBL5082102 0.81 TEK (0.60) MAPK14CSNK1DPTGER1ALOX5MAPK13
SCHEMBL5488836 0.80 ALOX5 (0.47) MAPK14PTGER1ALOX5MAPK13GCGR
SCHEMBL822678 0.80 PTGER1 (0.56) MAPK14PTGER1ALOX5MAPK13GCGR

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
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