SCHEMBL7823397

SCHEMBL7823397

Cc1nc(N)c2nc(-c3ccccc3)cnc2n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.54
PIK3CG P48736 3/20 0.52
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ADORA1 P30542 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
NPC1 O15118 1/20 0.44
PDGFRB P09619 1/20 0.44
KDR P35968 1/20 0.44
FLT3 P36888 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TLR9 Q9NR96 1/20 0.42
ATR Q13535 1/20 0.41

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
SCHEMBL22744042 0.85 PIK3CG (0.56) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL8813951 0.84 PIK3CG (0.72) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL22716224 0.83 PIK3CG (0.54) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL29472120 0.83 PIK3CG (0.54) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL22715257 0.82 PIK3CG (0.53) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL29439676 0.82 PIK3CG (0.53) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL5461542 0.81 NOS1 (0.50) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL22744582 0.80 PIK3CG (0.51) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL15059842 0.79 PIK3CG (0.76) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3799709 0.78 PIK3CG (0.62) NOS1PIK3CGPIK3CAPIK3CBHDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115710-A1 PROCESS FOR PREPARING REGIOSPECIFIC SUBSTITUTED PYRAZINE ISOMERS ABBOTT LABORATORIES (US) 2001-07-18 EP disclosed
WO-2000010983-A1 PROCESS FOR PREPARING REGIOSPECIFIC SUBSTITUTED PYRAZINE ISOMERS ABBOTT LABORATORIES (US) 2000-03-02 WO disclosed