SCHEMBL45819

SCHEMBL45819

CC(NC1CCOCC1)c1cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n2ncc(C3C=Nc4ccc(F)cc43)c2n1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31

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
SCHEMBL29141 0.80 NTRK1 (0.32)
SCHEMBL30638 0.80 NPY1R (0.30)
SCHEMBL588833 0.76 CCNT1 (0.39)
SCHEMBL39678 0.74
SCHEMBL45628 0.65 CDK2 (0.38) PDE1BPDE1C
SCHEMBL29142 0.65 MET (0.32) PDE1B
SCHEMBL29251 0.63 MEN1 (0.32)
SCHEMBL31291 0.63 POLB (0.31)
SCHEMBL15007405 0.62
SCHEMBL6890894 0.61 JAK1 (0.36)

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