SCHEMBL26137387

SCHEMBL26137387

Cc1cc([C@@H](C)Nc2ccccc2C(=O)O)c2nc(N3Cc4ccccc4C3)cc(F)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 16/20 0.59
▸ PIK3CB P42338 4/20 0.59
▸ MTOR P42345 2/20 0.59
▸ PRKDC P78527 2/20 0.59
▸ PIK3C3 Q8NEB9 1/20 0.59
▸ AKT1 P31749 4/20 0.55
▸ AKT2 P31751 4/20 0.55
▸ AKT3 Q9Y243 4/20 0.55
▸ PIK3CD O00329 2/20 0.49
▸ PIK3CG P48736 2/20 0.49
▸ SRC P12931 1/20 0.49
▸ DDX6 P26196 1/20 0.49
▸ PDE4A P27815 1/20 0.49
▸ CSK P41240 1/20 0.49
▸ PLK1 P53350 1/20 0.49
▸ PDE4B Q07343 1/20 0.49
▸ PDE4C Q08493 1/20 0.49
▸ PDE4D Q08499 1/20 0.49
▸ AURKB Q96GD4 1/20 0.49
▸ PI4KB Q9UBF8 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
SCHEMBL26137338 0.94 PIK3CA (0.64) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL26137339 0.94 PIK3CA (0.61) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL26137337 0.94 PIK3CA (0.61) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL26137335 0.94 PIK3CA (0.64) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL26137376 0.90 AKT1 (0.63) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL26137375 0.90 AKT1 (0.63) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL26136992 0.88 PIK3CA (0.57) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL26137390 0.85 PIK3CA (0.64) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL26137393 0.85 AKT1 (0.61) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL26137392 0.85 AKT1 (0.61) PIK3CAPIK3CBMTORPRKDCPIK3C3

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-2023078401-A1 COMPOUNDS AS PROTEIN KINASE INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-11 — — WO disclosed
Send feedback