SCHEMBL4737408

SCHEMBL4737408

Nc1nc2c(c(-c3ccncc3)n1)-c1cc(NS(=O)(=O)c3ccccc3)c(Cl)cc1CC2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.40
ADORA1 P30542 5/20 0.40
NTRK1 P04629 2/20 0.39
PIK3CD O00329 8/20 0.39
PIK3CG P48736 6/20 0.39
PIK3CA P42336 5/20 0.39
PIK3CB P42338 4/20 0.39
PIK3R1 P27986 2/20 0.38
SLC40A1 Q9NP59 1/20 0.37
IMPDH2 P12268 2/20 0.37
MTOR P42345 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
DRD3 P35462 1/20 0.36
HTR6 P50406 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
SCHEMBL4740757 0.94 PIK3CD (0.39) ADORA2AADORA1PIK3CDPIK3CGPIK3CA
SCHEMBL4787513 0.92 SLC40A1 (0.40) ADORA2AADORA1PIK3CDPIK3CGPIK3CA
SCHEMBL4740427 0.91 PLAU (0.39) ADORA2AADORA1PIK3CBDRD2HTR2A
SCHEMBL4740441 0.90 MEN1 (0.39) ADORA2AADORA1PIK3CDPIK3CGPIK3CA
SCHEMBL4737526 0.89 SLC22A12 (0.40) ADORA2AADORA1PIK3CAMTORDRD2
SCHEMBL14148288 0.88 ADORA2A (0.34) ADORA2AADORA1NTRK1PIK3CDPIK3CG
SCHEMBL4739916 0.88 GLO1 (0.41) ADORA2AADORA1SLC40A1
SCHEMBL4741151 0.87 KDM1A (0.39) ADORA2AADORA1PIK3CAMTOR
SCHEMBL4736835 0.85 CCNT1 (0.40) PIK3CDPIK3CGPIK3CAPIK3CBMTOR
SCHEMBL4739040 0.85 PIK3CD (0.35) ADORA2AADORA1PIK3CDPIK3CGPIK3CA

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