SCHEMBL7003395

SCHEMBL7003395

O=P(O)(O)Cc1cc(-c2ccsc2)nc2ccnn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.38
ADORA1 P30542 4/20 0.38
ADORA3 P0DMS8 3/20 0.38
ADORA2B P29275 2/20 0.38
PIK3CG P48736 2/20 0.34
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 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
SCHEMBL7002939 0.85 ADORA2A (0.34) ADORA2AADORA1ADORA3ADORA2BPIK3CG
SCHEMBL7003437 0.83 CDK2 (0.44) PIK3CGCCNE1CDK2
SCHEMBL7000312 0.79 PIM1 (0.48) ADORA2AADORA1ADORA3PIM1PIM3
SCHEMBL7002943 0.77 PIK3CG (0.41) ADORA2AADORA1ADORA3ADORA2BPIK3CG
SCHEMBL5468136 0.74 PDE10A (0.53) ADORA2AADORA1ADORA3ADORA2BPIK3CG
SCHEMBL5460463 0.74 CDK2 (0.41) NPC1CASP3SENP8SENP7SENP6
SCHEMBL7002609 0.74 UBE2M (0.36) PIK3CG
SCHEMBL7003343 0.73 CDK7 (0.43) PIK3CGNPC1CDK2
SCHEMBL7000622 0.72 PRKAB2 (0.44) PIK3CGCDK2
SCHEMBL6999100 0.71 PIK3CG (0.42) ADORA2AADORA1ADORA3ADORA2BPIK3CG

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