SCHEMBL4736841

SCHEMBL4736841

Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2c(cc1Cl)CCc1nc(N)nc(-c3ccncc3)c1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKBIA P25963 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MCL1 Q07820 1/20 0.40
IDH1 O75874 4/20 0.39
NHERF1 O14745 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
PIK3CA P42336 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
TYMS P04818 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SLC5A1 P13866 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
NCOA1 Q15788 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
SCHEMBL4737408 0.80 ADORA2A (0.40) PIK3CA
SCHEMBL14148281 0.80 PIK3CA (0.48) PIK3CA
SCHEMBL4740427 0.79 PLAU (0.39) SMN1; SMN2TDP1MEN1LMNAHTT
SCHEMBL4741151 0.78 KDM1A (0.39) NFKBIARELAPIK3CAMEN1LMNA
SCHEMBL4739916 0.74 GLO1 (0.41) MAPT
SCHEMBL14148288 0.74 ADORA2A (0.34) PIK3CATYMS
SCHEMBL4740757 0.74 PIK3CD (0.39) PIK3CATYMSMEN1MAPTKMT2A
SCHEMBL4787508 0.73 PIK3CD (0.44) PIK3CA
SCHEMBL4787518 0.73 CCR2 (0.41) PIK3CA
SCHEMBL4741259 0.72 TYMS (0.41) KDRTYMSMEN1KMT2A

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