SCHEMBL14194976

SCHEMBL14194976

C1=c2c(Cc3ccc(NCc4cccs4)nc3)c[nH]c2=NCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 4/20 0.39
▸ KIT P10721 3/20 0.39
▸ CYP3A4 P08684 8/20 0.37
▸ CYP2C19 P33261 7/20 0.37
▸ FYN P06241 4/20 0.37
▸ CYP2D6 P10635 7/20 0.36
▸ LCK P06239 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ ADORA1 P30542 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
SCHEMBL14196176 0.82 CYP2C19 (0.44) CSF1RKITCYP3A4CYP2C19CYP2D6
SCHEMBL13976951 0.82 CYP2C19 (0.37) CSF1RKITCYP3A4CYP2C19CYP2D6
SCHEMBL14194180 0.78 CYP3A4 (0.43) CSF1RKITCYP3A4CYP2C19CYP2D6
SCHEMBL857120 0.75 CSF1R (0.68) CSF1RKITCYP3A4CYP2C19FYN
SCHEMBL14194348 0.73 CSF1R (0.35) CSF1RKITCYP3A4CYP2C19CYP2D6
SCHEMBL14197362 0.72 CYP2C19 (0.33) CSF1RKITCYP3A4CYP2C19CYP2D6
SCHEMBL14194134 0.71 NPC1 (0.46) HTR1AALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL14197370 0.70 KDM4E (0.44) HTR1AALDH1A1
SCHEMBL14197377 0.69 PRKAB2 (0.38) TSHRALDH1A1SMN1; SMN2TP53
SCHEMBL14845826 0.69 MEN1 (0.54) CYP3A4CYP2C19FYNCYP2D6CYP1A2

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-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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