SCHEMBL20001384

SCHEMBL20001384

Cc1cc(-c2cc(-c3nnc(C)[nH]3)c3nc(C)n(-c4ccnc5c(F)ccc(F)c45)c3c2)ccn1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 20/20 0.75
PIK3CB P42338 12/20 0.75
PIK3CD O00329 11/20 0.75
PIK3R1 P27986 11/20 0.75
PIK3CA P42336 11/20 0.75
CYP3A4 P08684 3/20 0.75
PIK3CG P48736 5/20 0.63

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
SCHEMBL20001525 0.93 PIK3R2 (0.68) PIK3R2PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL20001526 0.92 PIK3R2 (0.75) PIK3R2PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL20010396 0.89 PIK3R2 (0.77) PIK3R2PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL20001371 0.87 PIK3R2 (0.74) PIK3R2PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL20001549 0.86 PIK3R2 (0.76) PIK3R2PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL20001366 0.85 PIK3R2 (0.78) PIK3R2PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL20010498 0.83 PIK3R2 (0.79) PIK3R2PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL20001381 0.80 PIK3R2 (0.67) PIK3R2PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL20001377 0.80 PIK3R2 (0.65) PIK3R2PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL20001470 0.80 PIK3R2 (0.78) 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