SCHEMBL14197019

SCHEMBL14197019

Fc1nc(NCc2ccc(Cl)cc2)ccc1Cc1c[nH]c2c1=CCCN=2

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 17/20 0.53
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C9 P11712 7/20 0.46
▸ CYP2C19 P33261 4/20 0.37
▸ KIT P10721 2/20 0.35
▸ KDR P35968 2/20 0.35
▸ FLT3 P36888 2/20 0.35
▸ AURKC Q9UQB9 2/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ CSF1R P07333 1/20 0.34

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
SCHEMBL1266685 0.73 CYP1A2 (0.67) CYP3A4CYP1A2CYP2C9CYP2C19KIT
SCHEMBL1267479 0.73 CYP3A4 (0.80) CYP3A4CYP1A2CYP2C9CYP2C19KIT
SCHEMBL14196176 0.73 CYP2C19 (0.44) CYP3A4CYP2C9CYP2C19KITKDR
SCHEMBL2112330 0.72 CYP1A2 (0.69) CYP3A4CYP1A2CYP2C9CYP2C19KIT
SCHEMBL1882053 0.71 CYP3A4 (0.82) CYP3A4CYP1A2CYP2C9CYP2C19KIT
SCHEMBL1267946 0.70 CYP3A4 (0.50) CYP3A4CYP1A2CYP2C9
SCHEMBL1887500 0.69 CYP3A4 (1.00) CYP3A4CYP1A2CYP2C9CYP2C19KIT
SCHEMBL12899423 0.69 CYP1A2 (0.73) CYP3A4CYP1A2CYP2C9CYP2C19KIT
SCHEMBL1266480 0.69 CYP1A2 (0.71) CYP3A4CYP1A2CYP2C9CYP2C19KIT
SCHEMBL1888289 0.69 CYP1A2 (1.00) CYP3A4CYP1A2CYP2C9CYP2C19KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008064265-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2008-05-29 — — WO disclosed
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