SCHEMBL4785896

SCHEMBL4785896

COc1cccc(-c2nc(N)nc3c2-c2cc(NS(=O)(=O)c4ccc(F)cc4F)c(Cl)cc2CC3)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
PIK3CA P42336 11/20 0.41
MTOR P42345 5/20 0.41
PIK3CG P48736 7/20 0.40
PI4KA P42356 5/20 0.40
CCR2 P41597 1/20 0.39
PIK3CD O00329 3/20 0.39
PIK3CB P42338 2/20 0.39
SLC40A1 Q9NP59 1/20 0.37

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
SCHEMBL4740239 0.92 PIK3CA (0.45) PIK3CAMTORPIK3CGPI4KAPIK3CD
SCHEMBL4741753 0.92 CCR2 (0.42) PIK3CAMTORPIK3CGPI4KACCR2
SCHEMBL4739014 0.89 PI4KA (0.42) PIK3CAMTORPIK3CGPI4KACCR2
SCHEMBL4736827 0.89 CCR2 (0.40) PIK3CAMTORPIK3CGPI4KACCR2
SCHEMBL4787508 0.87 PIK3CD (0.44) PIK3CAMTORPIK3CGPI4KACCR2
SCHEMBL4740771 0.87 CCR2 (0.38) PIK3CAMTORPIK3CGPI4KACCR2
SCHEMBL4740778 0.87 CCR2 (0.39) PIK3CAMTORPIK3CGPI4KACCR2
SCHEMBL4741146 0.86 PIK3C3 (0.40) PIK3CAMTORCCR2PIK3CD
SCHEMBL4785904 0.86 PIK3CA (0.40) PIK3CAMTORPIK3CGPI4KACCR2
SCHEMBL4787625 0.85 PIK3CA (0.42) PIK3CAMTORPIK3CGPI4KACCR2

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
WO-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 WO disclosed
WO-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 WO disclosed