SCHEMBL5226884

SCHEMBL5226884

COc1ccc(-c2nnc(Cl)cc2-c2ccncc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.50
GCGR P47871 2/20 0.50
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
MAPK11 Q15759 3/20 0.43
CSNK1D P48730 2/20 0.43
COMT P21964 1/20 0.43
TGFBR1 P36897 1/20 0.43
PDE10A Q9Y233 1/20 0.42
GABRA1 P14867 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
NPC1 O15118 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK13 O15264 1/20 0.42
RAF1 P04049 1/20 0.42
MAPK12 P53778 1/20 0.42
GABRA5 P31644 1/20 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
SCHEMBL5222119 0.92 KMT2A (0.44) KDM4ENPC1RAB9A
SCHEMBL5221958 0.87 ALDH1A1 (0.51) KDM4ENPC1RAB9A
SCHEMBL5225894 0.81 DYRK1A (0.44) KDM4E
SCHEMBL4673245 0.80 MAPK14 (0.51) MAPK14GCGRMAPK11CSNK1DMAPK13
SCHEMBL1597390 0.80 MAPK14 (0.60) MAPK14GCGRMAPK11CSNK1DMAPK13
SCHEMBL5226694 0.78 KDM4E (0.43) MAPK14GCGRKDM4EUSP2MAPK11
SCHEMBL6515131 0.77 MAPK14 (0.65) MAPK14MAPK11CSNK1D
SCHEMBL8834226 0.76 POLB (0.43) KDM4ENPC1RAB9A
SCHEMBL2880935 0.76 ABL1 (0.43) MAPK14GCGRKDM4ENPC1RAB9A
SCHEMBL5221924 0.76 GSK3A (0.46) KDM4ENPC1RAB9A

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-1300399-B1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2007-08-22 EP disclosed
US-6664256-B1 Interleukin- 1 beta inhibitors KOWA CO., LTD. (JP) 2003-12-16 US disclosed
EP-1300399-A1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME Kowa Co., Ltd. (JP) 2003-04-09 EP disclosed