SCHEMBL20001446

SCHEMBL20001446

CC(=O)c1cc(-c2ccnc(N)c2F)cc2c1nc(C)n2-c1ccnc2c(F)ccc(F)c12

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 20/20 0.86
PIK3CB P42338 4/20 0.66
PIK3CD O00329 3/20 0.66
PIK3R1 P27986 3/20 0.66
PIK3CA P42336 3/20 0.66
PIK3CG P48736 1/20 0.66

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
SCHEMBL19989871 0.93 PIK3R2 (1.00) PIK3R2PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL19989751 0.93 PIK3R2 (1.00) PIK3R2PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL19996163 0.84 PIK3R2 (0.73) PIK3R2PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL19989844 0.84 PIK3R2 (0.85) PIK3R2PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL19989752 0.83 PIK3R2 (0.83) PIK3R2PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL19989919 0.82 PIK3R2 (0.69) PIK3R2PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL19990038 0.82 PIK3R2 (0.80) PIK3R2PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL19989773 0.81 PIK3R2 (0.79) PIK3R2PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL19990121 0.80 PIK3R2 (0.78) PIK3R2PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL20001562 0.80 PIK3R2 (1.00) PIK3R2PIK3CBPIK3CDPIK3R1PIK3CA

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-2018057810-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-03-29 WO disclosed