SCHEMBL16588352

SCHEMBL16588352

CCNc1cc(-c2cnc3cc(-c4ccc(F)cc4)ccn23)ccc1C

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 12/20 0.58
KDR P35968 6/20 0.51
FGFR3 P22607 3/20 0.51
PIK3CA P42336 1/20 0.43
BMPR1B O00238 1/20 0.42
PDGFRB P09619 1/20 0.42
ACVR1B P36896 1/20 0.42
TGFBR1 P36897 1/20 0.42
ACVRL1 P37023 1/20 0.42
TGFBR2 P37173 1/20 0.42
ACVR1 Q04771 1/20 0.42

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
SCHEMBL13336898 0.85 FGFR3 (0.58) FLT3KDRFGFR3
SCHEMBL13336414 0.82 KDR (0.67) FLT3KDRFGFR3
SCHEMBL14144061 0.82 KDR (0.70) FLT3KDRFGFR3PIK3CA
SCHEMBL1015853 0.79 CYP3A4 (0.53)
SCHEMBL3322667 0.78 FGFR3 (0.73) KDRFGFR3
Formic Acid SCHEMBL3324113 0.77 KDR (0.66) FLT3KDRFGFR3
SCHEMBL13336906 0.77 FGFR3 (0.59) FLT3KDRFGFR3
SCHEMBL16588375 0.76 FLT3 (0.74) FLT3KDRFGFR3
SCHEMBL13336707 0.74 FLT3 (1.00) FLT3KDRFGFR3
SCHEMBL20903378 0.74 KDR (0.71) FLT3KDRFGFR3

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
EP-2114941-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-03-25 EP disclosed