SCHEMBL4962773

SCHEMBL4962773

CN(C)Cc1cccc(-c2[nH]c3cc(NC(=O)O)cc4c3c2C=NNC4=O)c1.c1ccc(C2CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.47
KDR P35968 3/20 0.47
PLK4 O00444 2/20 0.47
CHEK2 O96017 2/20 0.47
ABL1 P00519 2/20 0.47
EGFR P00533 2/20 0.47
LCK P06239 2/20 0.47
FYN P06241 2/20 0.47
CDK1 P06493 2/20 0.47
RET P07949 2/20 0.47
FGFR1 P11362 2/20 0.47
SRC P12931 2/20 0.47
FGFR3 P22607 2/20 0.47
RPS6KB1 P23443 2/20 0.47
MARK3 P27448 2/20 0.47
FLT3 P36888 2/20 0.47
LIMK1 P53667 2/20 0.47
BTK Q06187 2/20 0.47
PRKAA1 Q13131 2/20 0.47
MARK2 Q7KZI7 2/20 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
SCHEMBL4964144 0.91 AURKA (0.47) AURKAKDRPLK4CHEK2ABL1
SCHEMBL4963661 0.88 AURKA (0.51) AURKAKDRPLK4CHEK2ABL1
SCHEMBL4965206 0.87 AURKA (0.47) AURKAKDRPLK4CHEK2ABL1
SCHEMBL4962187 0.87 AURKA (0.47) AURKAKDRPLK4CHEK2ABL1
SCHEMBL5860874 0.87 LCK (0.56) AURKAKDRPLK4CHEK2ABL1
SCHEMBL4966578 0.86 AURKA (0.44) AURKAKDRPLK4CHEK2ABL1
SCHEMBL4965843 0.81 AURKA (0.46) AURKAKDRPLK4CHEK2ABL1
SCHEMBL4965211 0.80 AURKA (0.41) AURKAKDRPLK4CHEK2ABL1
SCHEMBL4963742 0.80 AURKA (0.48) AURKAKDRPLK4CHEK2ABL1
SCHEMBL4964918 0.79 AURKA (0.41) AURKAKDRPLK4CHEK2ABL1

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-1585749-B1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER (US) 2008-08-13 EP claimed