SCHEMBL4590754

SCHEMBL4590754

Clc1ccc([CH]c2ccc(Cc3c[nH]c4ncc(Br)cc34)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.46
CYP2C19 P33261 6/20 0.46
CYP2D6 P10635 1/20 0.45
FLT1 P17948 2/20 0.43
KDR P35968 2/20 0.43
FLT3 P36888 2/20 0.43
NTRK3 Q16288 2/20 0.43
AURKB Q96GD4 2/20 0.43
CSF1R P07333 2/20 0.43
LCK P06239 1/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
PDGFRB P09619 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
KIT P10721 1/20 0.43
CHRM1 P11229 1/20 0.43
PDGFRA P16234 1/20 0.43
DRD1 P21728 1/20 0.43

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
SCHEMBL857477 0.80 CYP3A4 (0.69) CYP3A4CYP2C19CYP2D6FLT1KDR
SCHEMBL27708327 0.78 CYP3A4 (0.58) CYP3A4CYP2C19CYP2D6FLT1KDR
SCHEMBL15456771 0.78 CSF1R (0.68) CYP3A4CYP2C19CYP2D6FLT1KDR
SCHEMBL1883009 0.76 CYP3A4 (0.54) CYP3A4CYP2C19CYP2D6FLT1KDR
SCHEMBL4559776 0.74 CYP3A4 (0.44) CYP3A4CYP2C19CYP2D6FLT1KDR
SCHEMBL28685666 0.73 MET (0.51) CYP3A4CYP2C19CYP2D6FLT1KDR
SCHEMBL15455179 0.72 CYP2C19 (0.69) CYP3A4CYP2C19FLT1KDRFLT3
SCHEMBL15455792 0.72 CYP2C19 (0.56) CYP3A4CYP2C19CYP2D6FLT1KDR
SCHEMBL858770 0.71 FLT1 (0.42) CYP3A4CYP2C19CYP2D6FLT1KDR
SCHEMBL1884366 0.71 CYP3A4 (0.59) CYP3A4CYP2C19CYP2D6KDRFLT3

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