SCHEMBL7490786

SCHEMBL7490786

CCc1nc(N)n2nccc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
PDE10A Q9Y233 2/20 0.37
CDK9 P50750 7/20 0.35
CDK2 P24941 4/20 0.35
CDK7 P50613 3/20 0.35
CDK13 Q14004 2/20 0.35
CDK12 Q9NYV4 2/20 0.35
KCNN3 Q9UGI6 5/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
KCNN1 Q92952 1/20 0.34
KCNN2 Q9H2S1 1/20 0.34
HTR2A P28223 1/20 0.34
CCNT1 O60563 6/20 0.34

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
SCHEMBL7485256 0.86 CDK9 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7494616 0.83 CDK7 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7491247 0.82 ADORA2A (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30363677 0.78 PDE10A (0.34) PDE10ACDK2KCNN3CCNA1CCNE1
SCHEMBL7484447 0.77 KCNN3 (0.43) CDK2KCNN3KCNN1KCNN2ADORA2A
SCHEMBL7493929 0.76 PDE10A (0.40) PDE10ACDK9CDK2CDK7KCNN3
SCHEMBL5421748 0.75 PDE10A (0.42) PRKAA1PDE10ACDK9CDK2CDK7
SCHEMBL30363704 0.72 PDE10A (0.40) PRKAA1PDE10ACDK9CDK2CDK7
SCHEMBL863844 0.72 PDE10A (0.48) PDE10ACDK2KCNN3KCNN1KCNN2
SCHEMBL15232215 0.71 NPC1 (0.51) PDE10ACDK9CDK2CDK7CCNT1

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-0915093-B1 AMIDE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2002-11-27 EP disclosed
US-6166016-A Amide derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-12-26 US disclosed
EP-0915093-A1 AMIDE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-05-12 EP disclosed