SCHEMBL4740757

SCHEMBL4740757

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.39
PIK3CG P48736 3/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 1/20 0.39
ADORA2A P29274 6/20 0.38
ADORA1 P30542 6/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
DRD3 P35462 1/20 0.38
HTR6 P50406 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
KDM1A O60341 2/20 0.37
MAPT P10636 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
TYMS P04818 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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 0.94 ADORA2A (0.40) PIK3CDPIK3CGPIK3CAPIK3CBADORA2A
SCHEMBL4740441 0.94 MEN1 (0.39) PIK3CDPIK3CGPIK3CAADORA2AADORA1
SCHEMBL4739040 0.90 PIK3CD (0.35) PIK3CDPIK3CGPIK3CAADORA2AADORA1
SCHEMBL4736835 0.89 CCNT1 (0.40) PIK3CDPIK3CGPIK3CAPIK3CBDRD2
SCHEMBL4787389 0.87 ADORA2A (0.39) ADORA2AADORA1TYMS
SCHEMBL14148284 0.86 ADORA1 (0.34) ADORA2AADORA1TYMS
SCHEMBL4787513 0.86 SLC40A1 (0.40) PIK3CDPIK3CGPIK3CAPIK3CBADORA2A
SCHEMBL4739014 0.86 PI4KA (0.42) PIK3CDPIK3CGPIK3CACCR2
SCHEMBL4740427 0.86 PLAU (0.39) PIK3CBADORA2AADORA1DRD2HTR2A
SCHEMBL4737526 0.83 SLC22A12 (0.40) PIK3CAADORA2AADORA1DRD2HTR2A

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