SCHEMBL5264104

SCHEMBL5264104

CCNC(=O)Nc1nc2cc(-c3cncc(Cl)c3)ccn2n1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 6/20 0.51
PIK3CG P48736 10/20 0.48
PIK3CA P42336 3/20 0.48
PIK3CD O00329 8/20 0.42
PIK3CB P42338 3/20 0.42

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
SCHEMBL3920903 0.87 PIK3CG (0.49) TDP2PIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL3911294 0.84 TDP2 (0.62) TDP2PIK3CGPIK3CA
SCHEMBL3920404 0.79 PIK3CG (0.54) TDP2PIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL3916311 0.78 PIK3CG (0.53) TDP2PIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL3920193 0.78 PIK3CA (0.47) TDP2PIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL3912369 0.76 ROCK2 (0.44) TDP2PIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL1303772 0.71 PIK3CG (0.43) TDP2PIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL3913957 0.70 ABL1 (0.49)
SCHEMBL3378682 0.70 PIK3CG (0.67) PIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL1302534 0.69 PIK3CG (0.53) TDP2PIK3CGPIK3CAPIK3CDPIK3CB

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-1799680-A2 TRIAZOLOPYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2007-06-27 EP disclosed
WO-2006038116-A2 TRIAZOLOPYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2006-04-13 WO disclosed