SCHEMBL11608751

SCHEMBL11608751

CCc1cc(CC)n2nccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.49
PRKAG1 P54619 1/20 0.49
PRKAA2 P54646 1/20 0.49
PRKAA1 Q13131 1/20 0.49
PRKAG3 Q9UGI9 1/20 0.49
PRKAG2 Q9UGJ0 1/20 0.49
PRKAB1 Q9Y478 1/20 0.49
PDE10A Q9Y233 2/20 0.41
CDK9 P50750 5/20 0.38
CDK7 P50613 2/20 0.38
CDK2 P24941 2/20 0.38
CDK13 Q14004 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
KCNN3 Q9UGI6 8/20 0.37
KCNN1 Q92952 2/20 0.37
KCNN2 Q9H2S1 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
HTR2A P28223 1/20 0.37
CCNT1 O60563 4/20 0.36

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
SCHEMBL17690933 0.82 PRKAB2 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7000622 0.82 PRKAB2 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7431490 0.81 PRKAB2 (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7846977 0.81 PRKAB2 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7434807 0.81 PDE10A (0.61) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7438434 0.81 PRKAB2 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL11606854 0.79 CDK7 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31465341 0.79 PDE10A (0.59) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL24408207 0.78 PRKAB2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL22131142 0.78 PRKAB2 (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4093617-A ENZYME INHIBITORS ICN PHARMACEUTICALS, INC. (US) 1978-06-06 US disclosed