SCHEMBL7002239

SCHEMBL7002239

CCCCc1cc(CCSCP(=O)(O)O)n2nccc2n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 2/20 0.41
CDK9 P50750 2/20 0.41
CCNT1 O60563 1/20 0.41
CCNH P51946 1/20 0.41
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
CDK2 P24941 1/20 0.34
CDK13 Q14004 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
FBP1 P09467 1/20 0.32
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
PDE10A Q9Y233 1/20 0.30
KCNN3 Q9UGI6 1/20 0.30

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
SCHEMBL7000632 0.90 CDK7 (0.41) CDK7CDK9CCNT1CCNHPRKAB2
SCHEMBL7002543 0.87 CDK7 (0.39) CDK7CDK9CCNT1CCNHPRKAB2
SCHEMBL7001325 0.86 CDK7 (0.38) CDK7CDK9CCNT1CCNHPRKAB2
SCHEMBL7003971 0.84 CDK7 (0.45) CDK7CDK9CCNT1CCNHPRKAB2
SCHEMBL7003975 0.83 CDK7 (0.40) CDK7CDK9CCNT1CCNHPRKAB2
SCHEMBL11606779 0.81 CDK9 (0.52) CDK7CDK9CCNT1CCNHPRKAB2
SCHEMBL7003706 0.81 CDK7 (0.42) CDK7CDK9CCNT1CCNHPRKAB2
SCHEMBL7001595 0.80 ENPP2 (0.44) CDK7CDK9CCNT1CCNHPRKAB2
SCHEMBL7002678 0.78 PRKAB2 (0.43) CDK7CDK9PRKAB2PRKAG1PRKAA2
SCHEMBL7003343 0.77 CDK7 (0.43) CDK7CDK9CCNT1CCNHPRKAB2

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