SCHEMBL42497

SCHEMBL42497

COCCOC(=O)C1(OCCOC)CCC(c2nc3c(-c4cnn(-c5ccccc5)c4)cnn3c(N)c2Br)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.44
CCNA2 P20248 18/20 0.44
CDK2 P24941 18/20 0.44
CCNA1 P78396 18/20 0.44
RPS6KA4 O75676 1/20 0.41
STK10 O94804 1/20 0.41
LATS1 O95835 1/20 0.41
PAK4 O96013 1/20 0.41
RET P07949 1/20 0.41
PIM1 P11309 1/20 0.41
NQO2 P16083 1/20 0.41
CSNK2A2 P19784 1/20 0.41
MARK3 P27448 1/20 0.41
MAP2K2 P36507 1/20 0.41
TGFBR2 P37173 1/20 0.41
PRKCI P41743 1/20 0.41
PSMC4 P43686 1/20 0.41
PRKCD Q05655 1/20 0.41
MAP2K5 Q13163 1/20 0.41
MAP3K1 Q13233 1/20 0.41

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
SCHEMBL15007295 0.91 CHEK1 (0.35) CHEK1CCNA2CDK2CCNA1RET
SCHEMBL15007311 0.91 CHEK1 (0.35) CHEK1CCNA2CDK2CCNA1RET
SCHEMBL15007523 0.90 CHEK1 (0.43) CHEK1CCNA2CDK2CCNA1MELK
SCHEMBL15007309 0.87 CHEK1 (0.44) CHEK1CCNA2CDK2CCNA1RPS6KA4
SCHEMBL15007310 0.87 CHEK1 (0.44) CHEK1CCNA2CDK2CCNA1RPS6KA4
SCHEMBL15031442 0.87 CHEK1 (0.44) CHEK1CCNA2CDK2CCNA1RPS6KA4
SCHEMBL15006953 0.87 CHEK1 (0.32) CHEK1CCNA2CDK2CCNA1GRM4
SCHEMBL19392 0.87 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1RPS6KA4
SCHEMBL15031452 0.86 CHEK1 (0.42) CHEK1CCNA2CDK2CCNA1RPS6KA4
SCHEMBL15031423 0.86 CHEK1 (0.50) CHEK1CCNA2CDK2CCNA1RPS6KA4

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-2012027234-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-03-01 WO disclosed