SCHEMBL4313118

SCHEMBL4313118

[CH2][C@H]1CC[C@H](c2ncc3c(Cl)nccn32)CC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 9/20 0.40
PDE1B Q01064 7/20 0.39
PDE1A P54750 6/20 0.39
TNK2 Q07912 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
SCHEMBL16748877 0.92 PDE1C (0.44) PDE1CPDE1BPDE1ATNK2
SCHEMBL400651 0.88 PDE1C (0.43) PDE1CPDE1BPDE1ATNK2
SCHEMBL18099738 0.86 PDE1C (0.46) PDE1CPDE1BPDE1ATNK2
SCHEMBL13962521 0.85 PDE1C (0.47) PDE1CPDE1BPDE1ATNK2
SCHEMBL8399329 0.83 PDE1C (0.37) PDE1CPDE1BPDE1ATNK2
SCHEMBL2327173 0.82 PDE1C (0.50) PDE1CPDE1BPDE1A
SCHEMBL13962531 0.82 PDE1C (0.37) PDE1CPDE1BPDE1ATNK2
SCHEMBL397982 0.82 PDE1C (0.43) PDE1CPDE1BPDE1ATNK2
SCHEMBL397983 0.82 PDE1C (0.43) PDE1CPDE1BPDE1ATNK2
SCHEMBL23217412 0.81 PDE1C (0.42) PDE1CPDE1BPDE1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283020-B1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARM INC (US) 2012-10-31 EP disclosed
WO-2009148916-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2009-12-10 WO disclosed
WO-2009143051-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed