SCHEMBL7005945

SCHEMBL7005945

CCOP(=O)(OCC)C(C)c1cc(CC)nc2ccnn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
PIK3CG P48736 1/20 0.36
CDK9 P50750 3/20 0.35
CCNT1 O60563 2/20 0.35
KCNN3 Q9UGI6 2/20 0.34
CDK2 P24941 2/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCNE1 P24864 1/20 0.34
CCNA1 P78396 1/20 0.34
CDK3 Q00526 1/20 0.34
POLB P06746 1/20 0.34
HMGCR P04035 1/20 0.33
LOXL2 Q9Y4K0 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
SCHEMBL7003349 0.90 CDK9 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7003532 0.88 CDK9 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7004329 0.87 CDK9 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7001175 0.86 CDK9 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7005986 0.86 PIK3CG (0.36) PIK3CGCDK9CCNT1KCNN3CDK2
SCHEMBL6997867 0.82 PRKAB2 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7145753 0.82 PIK3CG (0.46) PIK3CGKCNN3CDK2CCNE1POLB
SCHEMBL24408207 0.80 PRKAB2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6999100 0.78 PIK3CG (0.42) PIK3CGCDK9CCNT1KCNN3
SCHEMBL7001263 0.78 PIM1 (0.43) PRKAA1PIK3CGKCNN3MAPTKCNN1

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