SCHEMBL7003971

SCHEMBL7003971

CCCCc1cc(CP(=O)(O)O)n2nccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 2/20 0.45
CDK9 P50750 2/20 0.45
CCNT1 O60563 1/20 0.45
CCNH P51946 1/20 0.45
CDK2 P24941 1/20 0.37
CDK13 Q14004 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
ENPP2 Q13822 1/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
FBP1 P09467 2/20 0.36
KDM5A P29375 3/20 0.34
KDM5B Q9UGL1 3/20 0.34
KDM4C Q9H3R0 2/20 0.33
PGK1 P00558 1/20 0.33

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
SCHEMBL7003706 0.96 CDK7 (0.42) CDK7CDK9CCNT1CCNHCDK2
SCHEMBL7001595 0.95 ENPP2 (0.44) CDK7CDK9CCNT1CCNHCDK2
SCHEMBL7003343 0.92 CDK7 (0.43) CDK7CDK9CCNT1CCNHCDK2
SCHEMBL7000622 0.87 PRKAB2 (0.44) CDK7CDK9CCNT1CCNHCDK2
SCHEMBL7000632 0.85 CDK7 (0.41) CDK7CDK9CCNT1CCNHCDK2
SCHEMBL7002239 0.84 CDK7 (0.41) CDK7CDK9CCNT1CCNHCDK2
SCHEMBL11606779 0.84 CDK9 (0.52) CDK7CDK9CCNT1CCNHCDK2
SCHEMBL7002543 0.82 CDK7 (0.39) CDK7CDK9CCNT1CCNHCDK2
SCHEMBL7001325 0.81 CDK7 (0.38) CDK7CDK9CCNT1CCNHCDK2
SCHEMBL7000634 0.79 CDK9 (0.42) CDK7CDK9CCNT1CCNHCDK2

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