SCHEMBL7437667

SCHEMBL7437667

CCc1cc(NCc2ccc(-c3ccccc3C#N)cc2)n2nccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA2 P54646 1/20 0.51
PRKAA1 Q13131 1/20 0.51
PRKAG3 Q9UGI9 1/20 0.51
PRKAG2 Q9UGJ0 1/20 0.51
PRKAB1 Q9Y478 1/20 0.51
KCNN3 Q9UGI6 7/20 0.49
KCNN1 Q92952 1/20 0.49
KCNN2 Q9H2S1 1/20 0.49
AGTR1 P30556 1/20 0.48
CDK2 P24941 5/20 0.43
CCNE1 P24864 3/20 0.43
MYC P01106 1/20 0.41
WDR5 P61964 1/20 0.41
PPARG P37231 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL7435705 0.91 KCNN3 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7445604 0.88 KCNN3 (0.66) KCNN3KCNN1KCNN2CDK2CCNE1
SCHEMBL7441417 0.88 MEN1 (0.49) KCNN3KCNN1KCNN2CDK2CCNE1
SCHEMBL7445484 0.87 PRKAB2 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7449214 0.85 CDK2 (0.46) AGTR1CDK2CCNE1PPARGMEN1
SCHEMBL7447111 0.84 GAA (0.51) CDK2MYCWDR5PPARGMEN1
SCHEMBL7437260 0.83 CDK2 (0.49) CDK2CCNE1MYCWDR5PPARG
SCHEMBL7441150 0.83 CDK2 (0.48) AGTR1CDK2CCNE1PPARGMEN1
SCHEMBL7429389 0.81 AGTR1 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7447205 0.81 CDK2 (0.46) CDK2CCNE1PPARGMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628559-B1 Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF LILLY GMBH (DE) 2002-04-03 EP disclosed
US-5602137-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5602136-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5571813-A Fused pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1996-11-05 US disclosed
EP-0628559-A1 Pyrimidine compounds and their use as pharmaceuticals Beiersdorf-Lilly GmbH (DE) 1994-12-14 EP disclosed