SCHEMBL7005986

SCHEMBL7005986

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.36
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
KCNN3 Q9UGI6 4/20 0.35
POLB P06746 1/20 0.35
PDE4A P27815 1/20 0.34
PDE2A O00408 2/20 0.34
HMGCR P04035 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
PDE10A Q9Y233 1/20 0.33
TP53 P04637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KCNN1 Q92952 1/20 0.32
KCNN2 Q9H2S1 1/20 0.32
HCRTR1 O43613 1/20 0.31

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
SCHEMBL7005945 0.86 PRKAB2 (0.39) PIK3CGCCNT1CDK9KCNN3POLB
SCHEMBL7003349 0.84 CDK9 (0.40) PIK3CGCCNT1CDK9KCNN3POLB
SCHEMBL6998606 0.83 PDE4A (0.39) PIK3CGPOLBPDE4AUBE2MDCUN1D1
SCHEMBL7145753 0.83 PIK3CG (0.46) PIK3CGKCNN3POLBALDH1A1HSD17B10
SCHEMBL7003532 0.82 CDK9 (0.42) PIK3CGCCNT1CDK9KCNN3POLB
SCHEMBL7004329 0.81 CDK9 (0.39) PIK3CGCCNT1CDK9KCNN3POLB
SCHEMBL7001175 0.80 CDK9 (0.39) PIK3CGCCNT1CDK9KCNN3POLB
SCHEMBL7001263 0.79 PIM1 (0.43) PIK3CGKCNN3ALDH1A1KCNN1KCNN2
SCHEMBL6999100 0.79 PIK3CG (0.42) PIK3CGCCNT1CDK9KCNN3
SCHEMBL21212282 0.76 PDE2A (0.41) PIK3CGCCNT1CDK9KCNN3PDE2A

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