SCHEMBL20001544

SCHEMBL20001544

Cc1nc2c(C(N)O)cc(-c3ccncc3)cc2n1-c1ccnc2cccc(F)c12

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 20/20 0.72
PIK3CD O00329 1/20 0.49
CYP3A4 P08684 1/20 0.49
PIK3R1 P27986 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49

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
SCHEMBL20001467 0.84 PIK3R2 (1.00) PIK3R2
SCHEMBL19989836 0.83 PIK3R2 (0.85) PIK3R2PIK3CDCYP3A4PIK3R1PIK3CA
SCHEMBL19989803 0.81 PIK3R2 (0.82) PIK3R2PIK3CDCYP3A4PIK3R1PIK3CA
SCHEMBL20001523 0.77 PIK3R2 (0.75) PIK3R2PIK3CDCYP3A4PIK3R1PIK3CA
SCHEMBL20001425 0.74 PIK3R2 (1.00) PIK3R2
SCHEMBL19990086 0.73 PIK3R2 (0.84) PIK3R2
SCHEMBL19989762 0.72 PIK3R2 (0.79) PIK3R2
SCHEMBL19990036 0.72 PIK3R2 (0.81) PIK3R2
SCHEMBL19989745 0.71 PIK3R2 (0.78) PIK3R2
SCHEMBL19989840 0.71 PIK3R2 (0.69) PIK3R2PIK3CDCYP3A4PIK3R1PIK3CA

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