SCHEMBL7002696

SCHEMBL7002696

COC(=O)C(c1cc(C)nc2ccnn12)P(=O)(OC)OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.37
CCNT1 O60563 2/20 0.34
CDK2 P24941 2/20 0.34
CDK9 P50750 2/20 0.34
CCNA1 P78396 2/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNA2 P20248 1/20 0.34
CCND1 P24385 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK3 Q00526 1/20 0.34
POLB P06746 1/20 0.34
PDE4A P27815 3/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 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
SCHEMBL7002181 0.85 PRKAB2 (0.41) PIK3CGCCNT1CDK2CDK9CCNA1
SCHEMBL7002043 0.83 CDK9 (0.40) PIK3CGCCNT1CDK2CDK9CCNA1
SCHEMBL7002222 0.81 CDK9 (0.42) PIK3CGCCNT1CDK2CDK9CCNA1
SCHEMBL6998606 0.81 PDE4A (0.39) PIK3CGPOLBPDE4APDE4BPDE4D
SCHEMBL351286 0.72 F2 (0.40) CCNT1CDK2CDK9CCNA1CDK1
SCHEMBL21212282 0.71 PDE2A (0.41) PIK3CGCCNT1CDK2CDK9CCNA1
SCHEMBL7005986 0.70 PIK3CG (0.36) PIK3CGCCNT1CDK2CDK9CCNA1
SCHEMBL6997867 0.70 PRKAB2 (0.38) PIK3CGPOLBPDE4APDE4BPDE4D
SCHEMBL21200773 0.70 PDE10A (0.43) PIK3CGCCNT1CDK2CDK9CCNA1
SCHEMBL6993786 0.69 PIK3CG (0.35) PIK3CGCCNT1CDK2CDK9CCNA1

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