SCHEMBL21929447

SCHEMBL21929447

CNCCCNCc1cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn2c1C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.54
PIK3R1 P27986 7/20 0.54
PIK3CD O00329 2/20 0.54
PIK3CB P42338 2/20 0.54
PIK3CG P48736 2/20 0.54
MTOR P42345 13/20 0.47
RICTOR Q6R327 5/20 0.47
RPTOR Q8N122 5/20 0.47
MAPKAP1 Q9BPZ7 5/20 0.47
MLST8 Q9BVC4 5/20 0.47
PIK3C2B O00750 1/20 0.47
PRKDC P78527 1/20 0.47
PIK3C3 Q8NEB9 1/20 0.47
PI4KB Q9UBF8 1/20 0.47

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
SCHEMBL21929422 0.91 PIK3CA (0.53) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL21929434 0.91 PIK3CA (0.51) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL21929448 0.85 PIK3CA (0.59) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL21929432 0.84 PIK3CA (0.59) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL21929468 0.83 PIK3CA (0.55) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL21929580 0.81 PIK3CA (0.58) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL21929453 0.81 PIK3CA (0.58) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL21929439 0.81 PIK3CA (0.55) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL21929671 0.81 PIK3CA (0.55) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL21929452 0.80 PIK3CA (0.61) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG

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
EP-3643717-A1 7-SITE SUBSTITUTED PYRROLE TRIAZINE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PREPARATION METHOD THEREFOR AND USES THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2020-04-29 EP disclosed