SCHEMBL5740319

SCHEMBL5740319

COC(=O)Oc1cn2ncnc(C3C(=O)Nc4ccc(C#N)cc43)c2c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.37
MAP4K4 O95819 2/20 0.37
RET P07949 2/20 0.37
PDGFRB P09619 2/20 0.37
FGFR1 P11362 2/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37
CSF1R P07333 1/20 0.37
FLT1 P17948 1/20 0.37
LTK P29376 1/20 0.37
GRK5 P34947 1/20 0.37
MAP2K2 P36507 1/20 0.37
FLT3 P36888 1/20 0.37
MAPK8 P45983 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CLK2 P49760 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CDK7 P50613 1/20 0.37

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
SCHEMBL5740281 0.93 CHEK1 (0.42) KDRMAP4K4RETPDGFRBFGFR1
SCHEMBL5739596 0.87 MET (0.39) KDRMAP4K4RETPDGFRBFGFR1
SCHEMBL4048222 0.86 KDR (0.43) KDRMAP4K4RETPDGFRBFGFR1
SCHEMBL5740803 0.86 MAPK14 (0.41) KDRMAP4K4RETPDGFRBFGFR1
SCHEMBL5740106 0.85 SYK (0.37) KDRMAP4K4RETPDGFRBFGFR1
SCHEMBL5740055 0.85 MAPT (0.35) KDRMAPK14MET
SCHEMBL5739297 0.84 MAPT (0.34) KDRMAP4K4RETPDGFRBFGFR1
SCHEMBL5740995 0.83 MET (0.33) KDRBRD4METCYP3A4
SCHEMBL5740762 0.83 KMT2A (0.32) KDRMAP4K4RETPDGFRBFGFR1
SCHEMBL5739782 0.81 MAPT (0.36) KDRCYP3A4

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-1183033-B1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP claimed