SCHEMBL19940

SCHEMBL19940

Bc1c(C2CCC(OCCOC)(C(=O)OCCOC)CC2)nc2c(-c3cnn(-c4ccccc4)c3)cnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.32
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
SCHEMBL20645 0.93 GRM4 (0.32) GRM4CCNCCDK8
SCHEMBL20512 0.93 GRM4 (0.32) GRM4CCNCCDK8
SCHEMBL15006953 0.93 CHEK1 (0.32) GRM4CCNCCDK8
SCHEMBL15007518 0.92 GRM4 (0.31) GRM4CCNCCDK8
SCHEMBL15026296 0.91 GRM4 (0.31) GRM4
SCHEMBL19473 0.91 CHEK1 (0.32) GRM4
SCHEMBL43136 0.89 CCNC (0.31) CCNCCDK8
SCHEMBL20687 0.89
SCHEMBL21518 0.88 GRM4 (0.32) GRM4CCNCCDK8

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