SCHEMBL4964944

SCHEMBL4964944

O=C(O)Nc1cc2c3c(c(C4=CCNCC4)[nH]c3c1)C=NNC2=O.c1ccc(C2CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.44
BTK Q06187 3/20 0.44
PLK4 O00444 2/20 0.44
CHEK2 O96017 2/20 0.44
ABL1 P00519 2/20 0.44
EGFR P00533 2/20 0.44
LCK P06239 2/20 0.44
FYN P06241 2/20 0.44
CDK1 P06493 2/20 0.44
RET P07949 2/20 0.44
FGFR1 P11362 2/20 0.44
SRC P12931 2/20 0.44
FGFR3 P22607 2/20 0.44
RPS6KB1 P23443 2/20 0.44
MARK3 P27448 2/20 0.44
KDR P35968 2/20 0.44
FLT3 P36888 2/20 0.44
LIMK1 P53667 2/20 0.44
PRKAA1 Q13131 2/20 0.44
MARK2 Q7KZI7 2/20 0.44

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
SCHEMBL13987373 0.86 AURKA (0.59) AURKABTKPLK4CHEK2ABL1
SCHEMBL13987371 0.86 AURKA (0.59) AURKABTKPLK4CHEK2ABL1
SCHEMBL4963661 0.86 AURKA (0.51) AURKABTKPLK4CHEK2ABL1
SCHEMBL4963742 0.82 AURKA (0.48) AURKABTKPLK4CHEK2ABL1
SCHEMBL4965579 0.81 AURKA (0.47) AURKABTKPLK4CHEK2ABL1
SCHEMBL4779910 0.81 AURKA (0.66) AURKABTKPLK4CHEK2ABL1
SCHEMBL4964155 0.81 AURKA (0.44) AURKABTKPLK4CHEK2ABL1
SCHEMBL4813703 0.81 AURKA (0.66) AURKABTKPLK4CHEK2ABL1
SCHEMBL4965843 0.80 AURKA (0.46) AURKABTKPLK4CHEK2ABL1
SCHEMBL4964144 0.79 AURKA (0.47) AURKABTKPLK4CHEK2ABL1

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