SCHEMBL7833191

SCHEMBL7833191

C=CCCc1cc(Oc2nc(C)cc(C)n2)n2nccc2n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
CDK7 P50613 2/20 0.32
CDK9 P50750 2/20 0.32
CDK2 P24941 1/20 0.32
CDK13 Q14004 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
CCNT1 O60563 1/20 0.31
CCNH P51946 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
SCHEMBL7831770 0.85 PDE10A (0.43) PDE10ALOXL2CDK7CDK9CDK2
SCHEMBL7833635 0.82 LOXL2 (0.48) PDE10ALOXL2CDK7CDK9CDK2
SCHEMBL7829335 0.81 PDE10A (0.38) PDE10ALOXL2CDK7CDK9CDK2
SCHEMBL7821057 0.81 LOXL2 (0.37) PDE10ALOXL2CDK7CDK9CDK2
SCHEMBL7832213 0.80 LOXL2 (0.38) PDE10ALOXL2
SCHEMBL7832772 0.80 LOXL2 (0.35) PDE10ALOXL2CDK7CDK9CDK2
SCHEMBL7831750 0.79 PDE10A (0.37) PDE10ACDK7CDK9CDK2CDK13
SCHEMBL7830054 0.78 LOXL2 (0.37) PDE10ALOXL2
SCHEMBL7831956 0.77 LOXL2 (0.45) PDE10ALOXL2
SCHEMBL7831183 0.77 S1PR4 (0.35) PDE10ALOXL2

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-0820997-B1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2001-07-25 EP disclosed
US-5985882-A ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-11-16 US disclosed
EP-0820997-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-01-28 EP disclosed