SCHEMBL7846977

SCHEMBL7846977

CCc1cc(N)n2nccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
CDK2 P24941 4/20 0.43
CCNA1 P78396 3/20 0.43
CCNA2 P20248 2/20 0.43
CHEK1 O14757 1/20 0.43
CDK9 P50750 6/20 0.40
CDK7 P50613 3/20 0.40
CDK13 Q14004 2/20 0.40
CDK12 Q9NYV4 2/20 0.40
PDE10A Q9Y233 2/20 0.40
CCNT1 O60563 5/20 0.38
CCNH P51946 2/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38

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
SCHEMBL7847802 0.87 CDK9 (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7845174 0.84 CDK7 (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7847695 0.83 CDK2 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7847925 0.83 CDK2 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7847808 0.83 CDK7 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17690933 0.81 PRKAB2 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL11608751 0.81 PRKAB2 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7845502 0.80 CDK2 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7434807 0.79 PDE10A (0.61) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7438434 0.79 PRKAB2 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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-0714898-B1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2001-11-14 EP disclosed
US-5707997-A ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-01-13 US disclosed
EP-0714898-A1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-06-05 EP disclosed