SCHEMBL4772952

SCHEMBL4772952

CC(C)(C)N(C(=O)O)[C@H](Cc1ccc2ccccc2c1)C(=O)Nc1cc2c3c(c[nH]c3c1)C=NNC2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 2/20 0.48
AURKA O14965 2/20 0.48
CHEK2 O96017 2/20 0.48
ABL1 P00519 2/20 0.48
EGFR P00533 2/20 0.48
LCK P06239 2/20 0.48
FYN P06241 2/20 0.48
CDK1 P06493 2/20 0.48
RET P07949 2/20 0.48
FGFR1 P11362 2/20 0.48
SRC P12931 2/20 0.48
FGFR3 P22607 2/20 0.48
RPS6KB1 P23443 2/20 0.48
MARK3 P27448 2/20 0.48
KDR P35968 2/20 0.48
FLT3 P36888 2/20 0.48
LIMK1 P53667 2/20 0.48
BTK Q06187 2/20 0.48
PRKAA1 Q13131 2/20 0.48
MARK2 Q7KZI7 2/20 0.48

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
SCHEMBL4776852 0.89 AURKA (0.47) PLK4AURKACHEK2ABL1EGFR
SCHEMBL5447724 0.84 AURKA (0.49) PLK4AURKACHEK2ABL1EGFR
SCHEMBL13987308 0.83 AURKA (0.52) PLK4AURKACHEK2ABL1EGFR
SCHEMBL4811050 0.83 PLK4 (0.52) PLK4AURKACHEK2ABL1EGFR
Hydrochloric Acid SCHEMBL4775517 0.83 AURKA (0.51) PLK4AURKACHEK2ABL1EGFR
SCHEMBL13987256 0.81 CTSS (0.49) PLK4AURKACHEK2ABL1EGFR
SCHEMBL4780498 0.79 AURKA (0.49) PLK4AURKACHEK2ABL1EGFR
SCHEMBL13987252 0.75 AURKA (0.43) PLK4AURKACHEK2ABL1EGFR
SCHEMBL4778672 0.74 ROCK2 (0.58) PLK4AURKACHEK2ABL1EGFR
SCHEMBL4815437 0.73 ROCK2 (0.61) PLK4AURKACHEK2ABL1EGFR

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-1947102-A1 Compositions comprising diazepinoindole derivatives as kinase inhibitors Pfizer, Inc. (US) 2008-07-23 EP disclosed