SCHEMBL7002683

SCHEMBL7002683

CCc1cc(C(SC)P(=O)(O)O)n2nccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
PIK3CG P48736 1/20 0.33
CDK2 P24941 2/20 0.32
CDK9 P50750 2/20 0.32
CCNT1 O60563 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CCNA1 P78396 1/20 0.32
CDK3 Q00526 1/20 0.32
KCNN3 Q9UGI6 3/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
KCNN1 Q92952 1/20 0.32
KCNN2 Q9H2S1 1/20 0.32

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
SCHEMBL7003976 0.90 CDK9 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7000634 0.88 CDK9 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7002544 0.87 CDK7 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7001327 0.86 CDK7 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6993786 0.83 PIK3CG (0.35) PIK3CGCDK2CDK9CCNT1CDK4
SCHEMBL7093391 0.79 PIK3CG (0.45) PIK3CGCDK2CCNE1
SCHEMBL7002237 0.78 CDK9 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7002628 0.77 CDK7 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7001103 0.77 CDK7 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL24408207 0.77 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1081149-B1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2003-04-02 EP disclosed
US-6372749-B1 PHARMACOLOGICAL EFFECTS SUCH AS ANALGESIC ACTION, INHIBITORY EFFECT ON NITROGEN MONOXIDE SYNTHETASE AND THE LIKE AND ARE USEFUL AS ANALGESICS. OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2002-04-16 US disclosed
EP-1081149-A1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-03-07 EP disclosed