SCHEMBL4740441

SCHEMBL4740441

Nc1nc2c(c(-c3ccc(F)cc3)n1)-c1cc(NS(=O)(=O)c3ccccc3)c(Cl)cc1CC2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
PIK3CD O00329 3/20 0.38
PGAM1 P18669 1/20 0.38
PIK3CA P42336 3/20 0.38
PIK3CG P48736 2/20 0.38
MTOR P42345 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 1/20 0.37
HTR6 P50406 1/20 0.37
ADORA1 P30542 4/20 0.36
ADORA2A P29274 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAP2K4 P45985 1/20 0.36
MALT1 Q9UDY8 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) MEN1KMT2APIK3CDPIK3CAPIK3CG
SCHEMBL4737408 0.90 ADORA2A (0.40) PIK3CDPIK3CAPIK3CGMTORDRD2
SCHEMBL4739014 0.87 PI4KA (0.42) PIK3CDPIK3CAPIK3CGMTOR
SCHEMBL4787508 0.87 PIK3CD (0.44) PIK3CDPIK3CAPIK3CGMTOR
SCHEMBL4737411 0.85 ADORA2A (0.39) ADORA1ADORA2A
SCHEMBL4736835 0.84 CCNT1 (0.40) PIK3CDPIK3CAPIK3CGMTORDRD2
SCHEMBL4739040 0.84 PIK3CD (0.35) PIK3CDPIK3CAPIK3CGDRD2HTR2A
SCHEMBL4787518 0.82 CCR2 (0.41) PIK3CDPIK3CAPIK3CGMTOR
SCHEMBL4787513 0.82 SLC40A1 (0.40) PIK3CDPIK3CAPIK3CGADORA1ADORA2A
SCHEMBL4740427 0.82 PLAU (0.39) MEN1KMT2APGAM1DRD2HTR2A

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