SCHEMBL30498

SCHEMBL30498

Cc1cc(C)cc(C[SiH2]CCOCN(COCC[SiH2]Cc2cc(C)cc(C)c2)c2cc(C3CCC(=O)CC3)nc3ccnn23)c1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.32
CRHR1 P34998 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
SCHEMBL20682 0.82 PDE10A (0.34) PDE10ACRHR1
SCHEMBL30497 0.79 PDE10A (0.32) PDE10ACRHR1
SCHEMBL2679823 0.77 CRHR1 (0.32) PDE10ACRHR1
SCHEMBL31283 0.77 CRHR1 (0.31) CRHR1
SCHEMBL596486 0.74 ALDH1A1 (0.37) CRHR1
SCHEMBL22064 0.73 PDE10A (0.34) PDE10ACRHR1
SCHEMBL2679434 0.72 CHEK1 (0.34) PDE10ACRHR1
SCHEMBL15026289 0.72 CDK2 (0.38) PDE10ACRHR1
SCHEMBL7885516 0.71 PDE10A (0.33) PDE10ACRHR1
SCHEMBL30714 0.71 PDE10A (0.34) PDE10ACRHR1

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-2608669-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-03 EP disclosed
WO-2012027236-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS SCHERING CORPORATION (US) 2012-03-01 WO disclosed