SCHEMBL4736847

SCHEMBL4736847

Nc1nc2c(c(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n1)-c1cc(NS(=O)(=O)c3ccc(F)cc3F)c(Cl)cc1CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
KCNA5 P22460 1/20 0.37
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
LMNA P02545 1/20 0.36
USP2 O75604 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
PIK3CA P42336 3/20 0.36
DCUN1D1 Q96GG9 2/20 0.36
PIK3CD O00329 1/20 0.36
CCR2 P41597 1/20 0.36
ALB P02768 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL4737498 0.92 PI4KA (0.39) PI4KAPIK3CGPIK3CAPIK3CDMAPT
SCHEMBL4736827 0.88 CCR2 (0.40) PI4KAPIK3CGPIK3CAPIK3CDCCR2
SCHEMBL4741753 0.88 CCR2 (0.42) PI4KAPIK3CGPIK3CAPIK3CDCCR2
SCHEMBL4740771 0.86 CCR2 (0.38) PI4KAPIK3CGPIK3CAPIK3CDCCR2
SCHEMBL4739014 0.85 PI4KA (0.42) PI4KAPIK3CGPIK3CAPIK3CDCCR2
SCHEMBL4787508 0.84 PIK3CD (0.44) PI4KAPIK3CGPIK3CAPIK3CDCCR2
SCHEMBL4740778 0.83 CCR2 (0.39) PI4KAPIK3CGPIK3CAPIK3CDCCR2
SCHEMBL4785896 0.83 ADORA2A (0.41) PI4KAPIK3CGPIK3CAPIK3CDCCR2
SCHEMBL4787625 0.82 PIK3CA (0.42) PI4KAPIK3CGGAAKDM4EPIK3CA
SCHEMBL14148281 0.82 PIK3CA (0.48) PIK3CGPIK3CAPIK3CDCCR2

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