SCHEMBL5226694

SCHEMBL5226694

COc1ccc(-c2cc(Oc3ccncc3)nnc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
MAPK14 Q16539 6/20 0.40
GCGR P47871 2/20 0.40
MAPK11 Q15759 3/20 0.40
CSNK1D P48730 2/20 0.40
COMT P21964 1/20 0.40
RPS6KA3 P51812 1/20 0.39
TGFBR1 P36897 1/20 0.39
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
BTK Q06187 1/20 0.39
GABRA5 P31644 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK13 O15264 1/20 0.39
RAF1 P04049 1/20 0.39
MAPK12 P53778 1/20 0.39

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
SCHEMBL5226722 0.93 KMT2A (0.43) KDM4EBTKKMT2ANPC1
SCHEMBL5223322 0.87 BTK (0.50) KDM4EBTKNPC1
SCHEMBL5223318 0.82 KDM1A (0.48) KDM4ECYP3A4KMT2ANPC1
SCHEMBL5228063 0.82 KMT2A (0.40) KDM4EMAPK14GCGRCYP3A4KMT2A
SCHEMBL5223530 0.81 MAPK14 (0.46) KDM4EUSP2MAPK14GCGRMAPK11
SCHEMBL5224031 0.81 CNR1 (0.38) KDM4ERPS6KA3KMT2ANPC1
SCHEMBL5221905 0.80 APP (0.49) KDM4EUSP2KMT2ANPC1
SCHEMBL5222128 0.79 KMT2A (0.38) KDM4ERPS6KA3KMT2ANPC1
SCHEMBL5226884 0.78 MAPK14 (0.50) KDM4EUSP2MAPK14GCGRMAPK11
SCHEMBL5224995 0.77 RPS6KA3 (0.37) KDM4ERPS6KA3KMT2ANPC1

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