SCHEMBL6603910

SCHEMBL6603910

Cc1ccccc1CNC(=O)n1nc(-c2cc(NC(=O)c3ccncc3)ccc2O)cc1C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.42
▸ CRACR2A Q9BSW2 5/20 0.40
▸ ROCK2 O75116 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KDM6B O15054 1/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ KDM4D Q6B0I6 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ KDM2A Q9Y2K7 1/20 0.36
▸ KDM3A Q9Y4C1 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL6623103 0.92 MAPK14 (0.40) NAMPTCRACR2ALMNAPOLBMAPK14
SCHEMBL6617708 0.91 ACKR3 (0.41) NAMPTCRACR2AROCK2KDM4ELMNA
SCHEMBL6619118 0.89 TAOK1 (0.40) NAMPTCRACR2AKDM4ELMNAPOLB
SCHEMBL6604168 0.89 CRACR2A (0.42) NAMPTCRACR2AKDM4ELMNATDP1
SCHEMBL6619665 0.88 P2RY14 (0.41) NAMPTROCK2POLBMAPK14EPHX2
SCHEMBL6620539 0.88 NPC1 (0.44) NAMPTKDM4ELMNATDP1POLB
SCHEMBL6617729 0.87 EPHX2 (0.37) CRACR2AKDM4EPOLBEPHX2
SCHEMBL6618495 0.87 GNRHR (0.40) KDM4EMAPK14EPHX2
SCHEMBL6620229 0.87 PPARG (0.42) CRACR2AEPHX2
SCHEMBL6677022 0.87 NAMPT (0.45) NAMPTCRACR2AROCK2KDM4EPOLB

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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