SCHEMBL9952995

SCHEMBL9952995

CC1(C)OB(c2cnc(N)c(S(=O)(=O)Nc3ccc(F)cc3F)c2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
PIK3CA P42336 4/20 0.48
ALPL P05186 1/20 0.45
PDGFRB P09619 4/20 0.44
KDR P35968 4/20 0.44
POLB P06746 1/20 0.42
PIK3CD O00329 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BRD4 O60885 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.39
ACLY P53396 1/20 0.39
MTOR P42345 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PIK3CB P42338 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL9953720 0.86 ALPL (0.62) PIK3CAALPLPOLBPIK3CDPIK3C3
SCHEMBL9953341 0.84 ALPL (0.51) LMNAPIK3CAALPLPOLBPIK3CD
SCHEMBL790655 0.81 PIK3C3 (0.53) PIK3CAPIK3C3MTOR
SCHEMBL29556116 0.80 PIK3CD (0.57) PIK3CAALPLPIK3CDBRD4PIK3C3
SCHEMBL12276481 0.80 PIK3CD (0.57) PIK3CAALPLPIK3CDBRD4PIK3C3
SCHEMBL31029634 0.80 BRD4 (0.47) ALPLPIK3CDBRD4PIK3C3PIK3CB
SCHEMBL454986 0.80 LMNA (0.49) LMNAPIK3CATSHRHSD17B10PIK3C3
SCHEMBL9953252 0.79 PDGFRB (0.58) PIK3CAALPLPDGFRBKDRPIK3CD
SCHEMBL110313 0.78 ALPL (0.55) PIK3CAALPLPIK3CDMTORPIK3CB
SCHEMBL29434933 0.78 ALPL (0.55) PIK3CAALPLPIK3CDMTORPIK3CB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed