SCHEMBL4787513

SCHEMBL4787513

Nc1nc2c(c(-c3ccncc3)n1)-c1cc(NS(=O)(=O)c3cccc(Cl)c3)c(Cl)cc1CC2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.40
KDM1A O60341 9/20 0.39
MAOA P21397 4/20 0.39
CCR2 P41597 3/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL4737408 0.92 ADORA2A (0.40) SLC40A1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4739916 0.89 GLO1 (0.41) SLC40A1KDM1AMAOACCR2ADORA2A
SCHEMBL14148288 0.89 ADORA2A (0.34) SLC40A1KDM1APIK3CDPIK3CAPIK3CB
SCHEMBL4740427 0.89 PLAU (0.39) PIK3CBADORA2AADORA1
SCHEMBL4740757 0.86 PIK3CD (0.39) SLC40A1KDM1ACCR2PIK3CDPIK3CA
SCHEMBL4737526 0.85 SLC22A12 (0.40) PIK3CAADORA2AADORA1
SCHEMBL4741151 0.84 KDM1A (0.39) KDM1ACCR2PIK3CAADORA2AADORA1
SCHEMBL4740441 0.82 MEN1 (0.39) PIK3CDPIK3CAPIK3CGADORA2AADORA1
SCHEMBL14148281 0.81 PIK3CA (0.48) CCR2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4739040 0.79 PIK3CD (0.35) KDM1APIK3CDPIK3CAPIK3CGADORA2A

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