SCHEMBL20011549

SCHEMBL20011549

CC[C@H]1Cc2ccc(Cl)c3nccc(c23)-n2c1nc1c(-c3nnc(C)[nH]3)cc(N3CCOCC3)cc12

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 20/20 0.55

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
SCHEMBL20011343 0.92 PIK3R2 (0.56) PIK3R2
SCHEMBL20000403 0.83 PIK3R2 (0.78) PIK3R2
SCHEMBL20000209 0.80 PIK3R2 (0.79) PIK3R2
SCHEMBL20000127 0.79 PIK3R2 (0.79) PIK3R2
SCHEMBL20000206 0.79 PIK3R2 (0.76) PIK3R2
SCHEMBL20000122 0.78 PIK3R2 (0.77) PIK3R2
SCHEMBL20000253 0.77 PIK3R2 (0.78) PIK3R2
SCHEMBL20000274 0.76 PIK3R2 (0.78) PIK3R2
SCHEMBL20000200 0.76 PIK3R2 (0.78) PIK3R2
SCHEMBL20000241 0.75 PIK3R2 (0.80) PIK3R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018057808-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-03-29 WO disclosed