SCHEMBL5223530

SCHEMBL5223530

COc1ccc(-c2nnc(Oc3ccc(F)cc3F)cc2-c2ccncc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.46
TRPA1 O75762 3/20 0.46
GCGR P47871 2/20 0.46
MAPK11 Q15759 3/20 0.43
MAPK13 O15264 1/20 0.43
ALOX5 P09917 1/20 0.43
MAPK12 P53778 1/20 0.43
SYK P43405 2/20 0.41
SRC P12931 1/20 0.41
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.41
CSNK1D P48730 1/20 0.41
RPS6KA3 P51812 1/20 0.40
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 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
SCHEMBL5223501 0.94 TRPA1 (0.44) MAPK14TRPA1GCGRSYKKDM4E
SCHEMBL5226799 0.90 SYK (0.44) MAPK14TRPA1SYKKDM4EKMT2A
SCHEMBL5222047 0.88 SYK (0.42) MAPK14TRPA1SYKKDM4EKMT2A
SCHEMBL5221631 0.85 SYK (0.42) MAPK14GCGRSYKKDM4EKMT2A
SCHEMBL5226058 0.81 MAPT (0.44) MAPK14TRPA1KMT2ANPSR1ALDH1A1
SCHEMBL5226694 0.81 KDM4E (0.43) MAPK14GCGRMAPK11MAPK13MAPK12
SCHEMBL5227456 0.80 MAPT (0.40) SYKRPS6KA3KDM4EKMT2ANPSR1
SCHEMBL5222107 0.78 PTGS1 (0.39) MAPK14TRPA1GCGRMAPK11MAPK13
SCHEMBL5224063 0.77 SOAT1 (0.42) SYKKDM4EKMT2ANPSR1ALDH1A1
SCHEMBL5228063 0.77 KMT2A (0.40) MAPK14GCGRKDM4EKMT2ANPSR1

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