SCHEMBL6993786

SCHEMBL6993786

CSC(c1cc(C)nc2ccnn12)P(=O)(O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.35
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
PDE2A O00408 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CCNT1 O60563 3/20 0.32
CDK9 P50750 3/20 0.32
CDK2 P24941 2/20 0.32
CCNA1 P78396 2/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CCNA2 P20248 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK3 Q00526 1/20 0.32
FDPS P14324 1/20 0.32
FDFT1 P37268 1/20 0.32
PIM1 P11309 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
SCHEMBL7002683 0.83 PRKAB2 (0.41) PIK3CGPDE10ACCNT1CDK9CDK2
SCHEMBL7093391 0.82 PIK3CG (0.45) PIK3CGCDK2CCNE1ALDH1A1TSHR
SCHEMBL7003976 0.81 CDK9 (0.40) PIK3CGCCNT1CDK9CDK2CCNA1
SCHEMBL7000634 0.79 CDK9 (0.42) PIK3CGCCNT1CDK9CDK2CCNA1
SCHEMBL7002544 0.78 CDK7 (0.39) PIK3CGPDE10ACCNT1CDK9CDK2
SCHEMBL7002943 0.78 PIK3CG (0.41) PIK3CGPIM1PIM3PLK3PIM2
SCHEMBL7003375 0.78 PIM1 (0.47) PIK3CGMEN1KMT2APIM1PIM3
SCHEMBL7001327 0.78 CDK7 (0.39) PIK3CGCCNT1CDK9CDK2
SCHEMBL21212282 0.75 PDE2A (0.41) PIK3CGUBE2MDCUN1D1PDE2APDE10A
SCHEMBL7002609 0.73 UBE2M (0.36) PIK3CGUBE2MDCUN1D1PDE2APDE10A

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