SCHEMBL5740803

SCHEMBL5740803

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.41
BRD4 O60885 1/20 0.32
MET P08581 1/20 0.32
MAPK11 Q15759 1/20 0.32
KDR P35968 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
STK10 O94804 1/20 0.32
MAP4K4 O95819 1/20 0.32
RET P07949 1/20 0.32
PDGFRB P09619 1/20 0.32
FGFR1 P11362 1/20 0.32
DDR1 Q08345 1/20 0.32
NUAK2 Q9H093 1/20 0.32
SLK Q9H2G2 1/20 0.32

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
SCHEMBL5739596 0.89 MET (0.39) MAPK14METKDRCYP3A4CYP2D6
SCHEMBL5740106 0.87 SYK (0.37) MAPK14METKDRCYP3A4CYP2D6
SCHEMBL5740055 0.86 MAPT (0.35) MAPK14METKDR
SCHEMBL5740319 0.86 KDR (0.37) MAPK14BRD4METKDRCYP3A4
SCHEMBL4043424 0.86 MAPK14 (0.57) MAPK14KDR
SCHEMBL5739297 0.85 MAPT (0.34) MAPK14METKDRCYP3A4CYP2D6
SCHEMBL5740995 0.85 MET (0.33) BRD4METKDRCYP3A4
SCHEMBL5740762 0.85 KMT2A (0.32) METKDRCYP3A4CYP2D6CYP2C9
SCHEMBL14469862 0.83 MAPK14 (0.40) MAPK14MAPK11KDR
SCHEMBL5739782 0.82 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