SCHEMBL13688570

SCHEMBL13688570

CCC1CN(c2ccc(-c3ccnc4c(-c5ccc(Cl)c(OC)c5)c(-c5ccncc5)nn34)cc2)CC(C)N1C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.75
CHEK1 O14757 1/20 0.44
ABL1 P00519 1/20 0.44
PRKCB P05771 1/20 0.44
FYN P06241 1/20 0.44
CDK1 P06493 1/20 0.44
LYN P07948 1/20 0.44
MET P08581 1/20 0.44
HCK P08631 1/20 0.44
SRC P12931 1/20 0.44
PDGFRA P16234 1/20 0.44
PRKCA P17252 1/20 0.44
CDK2 P24941 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
MAP4K2 Q12851 1/20 0.44
ROCK1 Q13464 1/20 0.44
RPS6KA1 Q15418 1/20 0.44
MAPK14 Q16539 1/20 0.44
AURKB Q96GD4 1/20 0.44
CSNK1G1 Q9HCP0 1/20 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
SCHEMBL13688565 0.89 BRAF (0.59) BRAFCHEK1ABL1PRKCBFYN
SCHEMBL1015541 0.86 BRAF (1.00) BRAFCHEK1ABL1PRKCBFYN
SCHEMBL1014071 0.76 BRAF (0.83) BRAFCHEK1ABL1PRKCBFYN
SCHEMBL1016037 0.75 BRAF (0.79) BRAFCHEK1ABL1PRKCBFYN
SCHEMBL1016142 0.74 BRAF (0.64) BRAFCHEK1ABL1PRKCBFYN
SCHEMBL13499862 0.74 BRAF (0.70) BRAF
SCHEMBL1012983 0.73 BRAF (1.00) BRAFCHEK1ABL1PRKCBFYN
SCHEMBL13499845 0.73 BRAF (0.68) BRAF
SCHEMBL13499893 0.71 BRAF (0.73) BRAF
SCHEMBL1015159 0.70 BRAF (1.00) BRAF

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
WO-2009108838-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-03 WO disclosed