SCHEMBL6619006

SCHEMBL6619006

CC(C)NC(=O)n1nc(-c2cc(NC(=O)c3ccncc3)ccc2O)cc1C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRACR2A Q9BSW2 5/20 0.46
▸ KDM4C Q9H3R0 2/20 0.41
▸ KDM6B O15054 1/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ KDM4D Q6B0I6 1/20 0.41
▸ KDM5B Q9UGL1 1/20 0.41
▸ KDM2A Q9Y2K7 1/20 0.41
▸ KDM3A Q9Y4C1 1/20 0.41
▸ ACKR3 P25106 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PREP P48147 1/20 0.38
▸ FAP Q12884 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL6617672 0.95 CRACR2A (0.47) CRACR2AACKR3LMNAALDH1A1TP53
SCHEMBL6615742 0.88 CRACR2A (0.44) CRACR2AACKR3LMNAALDH1A1TP53
SCHEMBL6615591 0.87 RAB9A (0.39) KDM4CKDM6BKDM5AKDM4DKDM5B
SCHEMBL6617207 0.87 CRACR2A (0.46) CRACR2AACKR3LMNAALDH1A1TP53
SCHEMBL6617307 0.87 CRACR2A (0.44) CRACR2AKDM4CKDM6BKDM5AKDM4D
SCHEMBL6617588 0.87 KDM5A (0.42) KDM4CKDM5AKDM4DKDM5BKDM3A
SCHEMBL6616415 0.86 HTT (0.38) ACKR3LMNAALDH1A1KDM4EMEN1
SCHEMBL6617017 0.85 KMT2A (0.44) LMNAALDH1A1TP53KDM4EMEN1
SCHEMBL6614695 0.85 KMT2A (0.46) LMNAALDH1A1TP53KDM4EMEN1
SCHEMBL6621304 0.84 CRACR2A (0.45) CRACR2AKDM4CKDM6BKDM5AKDM4D

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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