SCHEMBL7002222

SCHEMBL7002222

CCCCc1cc(C(C(=O)OC)P(=O)(OC)OC)n2nccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 5/20 0.42
CCNT1 O60563 4/20 0.42
CDK7 P50613 2/20 0.42
CCNH P51946 1/20 0.42
PIK3CG P48736 1/20 0.35
CDK2 P24941 3/20 0.35
CDK13 Q14004 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
KDM5A P29375 3/20 0.34
KDM5B Q9UGL1 3/20 0.34
KDM4C Q9H3R0 2/20 0.34
CRHR1 P34998 2/20 0.34
LOXL2 Q9Y4K0 1/20 0.34

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
SCHEMBL7002043 0.94 CDK9 (0.40) CDK9CCNT1CDK7CCNHPIK3CG
SCHEMBL7002181 0.89 PRKAB2 (0.41) CDK9CCNT1CDK7PIK3CGCDK2
SCHEMBL7000284 0.84 CDK9 (0.39) CDK9CCNT1CDK7CCNHPIK3CG
SCHEMBL6998373 0.82 CDK7 (0.37) CDK9CCNT1CDK7CCNHPIK3CG
SCHEMBL7002696 0.81 PIK3CG (0.37) CDK9CCNT1PIK3CGCDK2CCNA1
SCHEMBL6997870 0.81 CDK7 (0.36) CDK9CCNT1CDK7CCNHPIK3CG
SCHEMBL7004127 0.78 CDK7 (0.37) CDK9CCNT1CDK7CCNHPIK3CG
SCHEMBL7003532 0.76 CDK9 (0.42) CDK9CCNT1CDK7CCNHPIK3CG
SCHEMBL7001680 0.76 CDK9 (0.42) CDK9CCNT1CDK7CCNHPIK3CG
SCHEMBL7000703 0.75 CDK9 (0.41) CDK9CCNT1CDK7CCNHPIK3CG

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