SCHEMBL20645

SCHEMBL20645

COCCOC(=O)C1(OCCOC)CCC(c2nc3c(-c4cnn(-c5ccccc5)c4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2N)CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.32
CHEK1 O14757 2/20 0.31
CCNA2 P20248 2/20 0.31
CDK2 P24941 2/20 0.31
CCNA1 P78396 2/20 0.31
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30

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
SCHEMBL19684 0.93 GRM4 (0.32) GRM4CCNCCDK8
SCHEMBL20512 0.93 GRM4 (0.32) GRM4CHEK1CCNA2CDK2CCNA1
SCHEMBL15006953 0.93 CHEK1 (0.32) GRM4CHEK1CCNA2CDK2CCNA1
SCHEMBL19940 0.93 GRM4 (0.32) GRM4CCNCCDK8
SCHEMBL15007518 0.92 GRM4 (0.31) GRM4CCNCCDK8
SCHEMBL15026296 0.91 GRM4 (0.31) GRM4
SCHEMBL19473 0.91 CHEK1 (0.32) GRM4CHEK1CCNA2CDK2CCNA1
SCHEMBL43136 0.89 CCNC (0.31) CCNCCDK8
SCHEMBL15031502 0.88 CHEK1 (0.32) GRM4CHEK1CCNA2CDK2CCNA1
SCHEMBL21518 0.88 GRM4 (0.32) GRM4CHEK1CCNA2CDK2CCNA1

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-2012027236-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS SCHERING CORPORATION (US) 2012-03-01 WO disclosed