SCHEMBL14197363

SCHEMBL14197363

COc1nc(NCC2C=CC(C(F)(F)F)=CC2)ccc1Cc1c[nH]c2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 13/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ CYP2C9 P11712 5/20 0.44
▸ GPR84 Q9NQS5 1/20 0.41
▸ KIT P10721 3/20 0.40
▸ CSF1R P07333 2/20 0.40
▸ KDR P35968 2/20 0.40
▸ FLT3 P36888 2/20 0.40
▸ AURKC Q9UQB9 2/20 0.40
▸ FGFR1 P11362 1/20 0.39
▸ FGFR4 P22455 1/20 0.39
▸ MET P08581 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ HTR6 P50406 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
SCHEMBL14194089 0.90 CYP3A4 (0.47) CYP3A4CYP2C19CYP2C9GPR84KIT
SCHEMBL14196167 0.88 CYP3A4 (0.54) CYP3A4CYP2C19CYP2C9GPR84KIT
SCHEMBL14198419 0.82 CSF1R (0.61) CYP3A4CYP2C19GPR84KITCSF1R
SCHEMBL14194977 0.79 CYP3A4 (0.45) CYP3A4CYP2C19CYP2C9GPR84KIT
SCHEMBL1267694 0.77 CSF1R (0.68) CYP3A4CYP2C19CYP2C9GPR84KIT
SCHEMBL13976950 0.75 GPR84 (0.45) CYP3A4CYP2C19CYP2C9GPR84KIT
SCHEMBL14196175 0.75 CSF1R (0.51) CYP3A4CYP2C19CYP2C9GPR84KIT
SCHEMBL14197567 0.74 CSF1R (0.64) CYP3A4CYP2C19CYP2C9KITCSF1R
SCHEMBL14194093 0.72 CSF1R (0.56) CYP3A4CYP2C19CYP2C9GPR84KIT
SCHEMBL1267508 0.72 CYP3A4 (0.63) CYP3A4CYP2C19CYP2C9GPR84KIT

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
WO-2008064265-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2008-05-29 — — WO disclosed
WO-2008064255-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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