SCHEMBL16446181

SCHEMBL16446181

COc1ccc(Cn2cc(NC(=O)O)c(=O)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 8/20 0.64
WEE1 P30291 6/20 0.51
KDR P35968 2/20 0.50
EGFR P00533 1/20 0.50
FGFR4 P22455 2/20 0.49
FGFR1 P11362 2/20 0.48
FGFR2 P21802 1/20 0.48
FGFR3 P22607 1/20 0.48
JAK2 O60674 1/20 0.48
PTK2 Q05397 1/20 0.48
SRC P12931 3/20 0.47
NTRK1 P04629 1/20 0.47
KIT P10721 1/20 0.47
FLT3 P36888 1/20 0.47
LCK P06239 1/20 0.47

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
SCHEMBL16454990 0.85 CSF1R (0.59) CSF1RWEE1KDREGFRFGFR4
SCHEMBL16447797 0.85 CSF1R (0.60) CSF1RWEE1KDREGFRFGFR4
SCHEMBL16446241 0.83 WEE1 (0.73) CSF1RWEE1KDREGFRFGFR4
SCHEMBL14875912 0.80 WEE1 (0.67) CSF1RWEE1KDREGFRFGFR4
SCHEMBL31557031 0.80 WEE1 (0.67) CSF1RWEE1KDREGFRFGFR4
SCHEMBL3529229 0.79 CSF1R (0.79) CSF1RWEE1SRCNTRK1KIT
SCHEMBL4572823 0.79 CSF1R (0.84) CSF1RWEE1SRCNTRK1KIT
SCHEMBL3528195 0.78 CSF1R (1.00) CSF1RWEE1SRCNTRK1KIT
SCHEMBL10192654 0.76 CDK4 (0.72) KDREGFRFGFR4FGFR1FGFR2
SCHEMBL3971155 0.76 EGFR (0.65) WEE1KDREGFRFGFR4FGFR1

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-2015019037-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2015-02-12 WO disclosed