SCHEMBL6617307

SCHEMBL6617307

CCCNC(=O)n1nc(-c2cc(NC(=O)c3ccncc3)ccc2O)cc1C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CRACR2A Q9BSW2 5/20 0.44
▸ KDM4C Q9H3R0 2/20 0.39
▸ KDM6B O15054 1/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ KDM4D Q6B0I6 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39
▸ KDM2A Q9Y2K7 1/20 0.39
▸ KDM3A Q9Y4C1 1/20 0.39
▸ NAMPT P43490 3/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CA9 Q16790 1/20 0.36

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
SCHEMBL6617757 0.95 CRACR2A (0.45) CRACR2ANAMPTTRPA1KMT2AKDM4E
SCHEMBL6608859 0.92 CRACR2A (0.46) CRACR2AKDM4CKDM6BKDM5AKDM4D
SCHEMBL6615243 0.90 MAPK14 (0.41) KDM4CKDM6BKDM5AKDM4DKDM5B
SCHEMBL6614797 0.89 RAB9A (0.38) KDM4CKDM6BKDM5AKDM4DKDM5B
SCHEMBL6617649 0.89 RAB9A (0.43) CRACR2AKDM4CKDM6BKDM5AKDM4D
SCHEMBL6618348 0.88 KDM5A (0.40) KDM4CKDM5AKDM4DKDM5BKDM3A
SCHEMBL6621304 0.87 CRACR2A (0.45) CRACR2AKDM4CKDM6BKDM5AKDM4D
SCHEMBL6619006 0.87 CRACR2A (0.46) CRACR2AKDM4CKDM6BKDM5AKDM4D
SCHEMBL6604168 0.87 CRACR2A (0.42) CRACR2AKDM4CKDM6BKDM5AKDM4D
SCHEMBL6614832 0.86 CRACR2A (0.47) CRACR2ANAMPTKMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
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