SCHEMBL4964936

SCHEMBL4964936

COC(=O)Oc1[nH]c2cc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc3c2c1C=NNC3=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.63
PLK4 O00444 2/20 0.63
CHEK2 O96017 2/20 0.63
ABL1 P00519 2/20 0.63
EGFR P00533 2/20 0.63
LCK P06239 2/20 0.63
FYN P06241 2/20 0.63
CDK1 P06493 2/20 0.63
RET P07949 2/20 0.63
FGFR1 P11362 2/20 0.63
SRC P12931 2/20 0.63
FGFR3 P22607 2/20 0.63
RPS6KB1 P23443 2/20 0.63
MARK3 P27448 2/20 0.63
KDR P35968 2/20 0.63
FLT3 P36888 2/20 0.63
LIMK1 P53667 2/20 0.63
BTK Q06187 2/20 0.63
PRKAA1 Q13131 2/20 0.63
MARK2 Q7KZI7 2/20 0.63

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
SCHEMBL4963279 0.91 AURKA (0.62) AURKAPLK4CHEK2ABL1EGFR
SCHEMBL4962179 0.87 AURKA (0.59) AURKAPLK4CHEK2ABL1EGFR
SCHEMBL4777162 0.87 AURKA (0.65) AURKAPLK4CHEK2ABL1EGFR
SCHEMBL4779414 0.87 AURKA (0.65) AURKAPLK4CHEK2ABL1EGFR
SCHEMBL13987788 0.86 AURKA (0.69) AURKAPLK4CHEK2ABL1EGFR
SCHEMBL4964934 0.86 AURKA (0.56) AURKAPLK4CHEK2ABL1EGFR
SCHEMBL5857956 0.85 AURKA (0.70) AURKAPLK4CHEK2ABL1EGFR
SCHEMBL13987352 0.85 AURKA (0.69) AURKAPLK4CHEK2ABL1EGFR
SCHEMBL4778329 0.85 AURKA (0.69) AURKAPLK4CHEK2ABL1EGFR
SCHEMBL5861063 0.85 AURKA (0.69) AURKAPLK4CHEK2ABL1EGFR

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