SCHEMBL9953252

SCHEMBL9953252

CC1(C)OB(c2cnc(N)c(S(=O)(=O)Nc3ccccc3)c2)OC1(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 7/20 0.58
KDR P35968 7/20 0.58
ALPL P05186 1/20 0.56
PIK3CD O00329 4/20 0.47
PIK3CA P42336 4/20 0.47
PIK3CG P48736 4/20 0.47
PIK3CB P42338 3/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL807140 0.90 ALPL (0.53) PDGFRBKDRALPLKMT2A
SCHEMBL9952627 0.86 ALPL (0.56) PDGFRBKDRALPLCA1CA2
SCHEMBL14247329 0.86 ALPL (0.47) PDGFRBKDRALPLCA1CA2
SCHEMBL14247769 0.85 ALPL (0.51) PDGFRBKDRALPLMEN1KMT2A
SCHEMBL798423 0.84 ALPL (0.76) PDGFRBKDRALPLPIK3CDPIK3CA
SCHEMBL9953836 0.84 ALPL (0.54) PDGFRBKDRALPLPIK3CDPIK3CA
SCHEMBL14247605 0.83 PDGFRB (0.48) PDGFRBKDRALPLKMT2A
SCHEMBL14247561 0.83 PDGFRB (0.45) PDGFRBKDRALPLCA1CA2
SCHEMBL9952995 0.79 LMNA (0.49) PDGFRBKDRALPLPIK3CDPIK3CA
SCHEMBL729722 0.79 PDGFRB (0.45) PDGFRBKDRALPLCA1CA2

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