SCHEMBL29175

SCHEMBL29175

C=C(OCC)c1c(C2CCC(OCCOC)(C(=O)OCC)CC2)nc2c(-c3cnn(-c4ccccc4)c3)cnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GRM4 Q14833 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
SCHEMBL43136 0.98 CCNC (0.31) CCNCCDK8
SCHEMBL15031460 0.96 CCNC (0.31) CCNCCDK8GRM4
SCHEMBL15031462 0.93 CFTR (0.31) CCNCCDK8
SCHEMBL15026296 0.92 GRM4 (0.31) GRM4
SCHEMBL22613 0.90 MEN1 (0.34) CCNCCDK8MEN1KMT2A
SCHEMBL19684 0.89 GRM4 (0.32) CCNCCDK8GRM4
SCHEMBL31178 0.88
SCHEMBL20645 0.88 GRM4 (0.32) CCNCCDK8GRM4
SCHEMBL19940 0.88 GRM4 (0.32) CCNCCDK8GRM4
SCHEMBL20512 0.88 GRM4 (0.32) CCNCCDK8GRM4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2608668-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN Merck Sharp & Dohme Corp. (US) 2013-07-03 EP disclosed
WO-2012027234-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-03-01 WO disclosed