SCHEMBL4098100

SCHEMBL4098100

C[C@@H](Nc1ncnc(N)c1N)c1cnc2c(F)cccc2c1-c1cc(F)cc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.43
BCL2 P10415 1/20 0.42
PDPK1 O15530 1/20 0.42
RPS6KB1 P23443 1/20 0.42
PIK3CG P48736 6/20 0.40
PIK3R2 O00459 4/20 0.40
PIK3CB P42338 2/20 0.39
PIK3R1 P27986 1/20 0.39
EGFR P00533 1/20 0.38
GRM5 P41594 1/20 0.38
PIK3CA P42336 1/20 0.37

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
SCHEMBL4097957 1.00 PIK3CD (0.43) PIK3CDBCL2PDPK1RPS6KB1PIK3CG
SCHEMBL4100422 1.00 PIK3CD (0.43) PIK3CDBCL2PDPK1RPS6KB1PIK3CG
SCHEMBL4097264 0.93 BCL2 (0.49) PIK3CDBCL2PIK3CGPIK3CBPIK3CA
SCHEMBL4103452 0.93 BCL2 (0.49) PIK3CDBCL2PIK3CGPIK3CBPIK3CA
SCHEMBL4099701 0.90 PIK3CD (0.43) PIK3CDBCL2PIK3CGPIK3R2PIK3CB
SCHEMBL4097654 0.90 PIK3CD (0.43) PIK3CDBCL2PIK3CGPIK3R2PIK3CB
SCHEMBL10202042 0.90 PIK3CD (0.43) PIK3CDBCL2PIK3CGPIK3R2PIK3CB
SCHEMBL2718348 0.89 PIK3CD (0.57) PIK3CDBCL2PIK3CGPIK3R2PIK3CB
SCHEMBL2717952 0.89 PIK3CD (0.57) PIK3CDBCL2PIK3CGPIK3R2PIK3CB
SCHEMBL15437043 0.89 PIK3CD (0.57) PIK3CDBCL2PIK3CGPIK3R2PIK3CB

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-2012061696-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS AMGEN INC. (US) 2012-05-10 WO disclosed