SCHEMBL14194083

SCHEMBL14194083

ClC1=CCC(CNc2ccc(Cc3c[nH]c4ncc(OCCN5CCOCC5)cc34)cn2)C=C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.40
▸ CYP2C19 P33261 4/20 0.40
▸ CSF1R P07333 2/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ KIT P10721 2/20 0.38
▸ AURKB Q96GD4 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ FLT3 P36888 2/20 0.38
▸ LCK P06239 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ TBXA2R P21731 1/20 0.38

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
SCHEMBL14198421 0.84 CSF1R (0.56) CYP3A4CYP2C19CSF1RCYP2D6KIT
SCHEMBL14196170 0.83 CSF1R (0.48) CYP3A4CYP2C19CSF1RCYP2D6KIT
SCHEMBL1267483 0.83 CYP3A4 (0.54) CYP3A4CYP2C19CSF1RCYP2D6KIT
SCHEMBL14194091 0.81 CYP3A4 (0.60) CYP3A4CYP2C19CSF1RCYP2D6KIT
SCHEMBL14194082 0.80 CYP3A4 (0.48) CYP3A4CYP2C19CSF1RCYP2D6KIT
SCHEMBL14194096 0.80 CYP3A4 (0.48) CYP3A4CYP2C19CSF1RCYP2D6KIT
SCHEMBL14198428 0.80 CYP3A4 (0.48) CYP3A4CYP2C19CSF1RCYP2D6KIT
SCHEMBL14196599 0.80 CSF1R (0.47) CYP3A4CYP2C19CSF1RCYP2D6KIT
SCHEMBL1267328 0.78 CSF1R (0.68) CYP3A4CYP2C19CSF1RCYP2D6KIT
SCHEMBL14197571 0.77 NTRK1 (0.45) CYP3A4CYP2C19CSF1RKITDRD1

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 3 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
WO-2008063888-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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