SCHEMBL31352779

SCHEMBL31352779

CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc3c(Cl)ncnc3cc2OC2CC2)[C@H](F)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.45
▸ PIK3CA P42336 2/20 0.45
▸ PIK3CB P42338 2/20 0.45
▸ PIK3CG P48736 2/20 0.45
▸ PDE4B Q07343 1/20 0.43
▸ BRAF P15056 1/20 0.42
▸ IKBKE Q14164 1/20 0.41
▸ TBK1 Q9UHD2 1/20 0.41
▸ GPR119 Q8TDV5 4/20 0.41
▸ ERBB2 P04626 3/20 0.40
▸ EPHA2 P29317 2/20 0.40
▸ EPHB4 P54760 2/20 0.40
▸ EGFR P00533 8/20 0.40
▸ RIPK2 O43353 1/20 0.39
▸ RET P07949 1/20 0.39
▸ MET P08581 1/20 0.39
▸ EPHB2 P29323 1/20 0.39
▸ TEC P42680 1/20 0.39
▸ EPHA4 P54764 1/20 0.39
▸ BTK Q06187 1/20 0.39

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
SCHEMBL30590933 1.00 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL30590936 0.90 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL28983490 0.89 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL26111136 0.88 EGFR (0.42) ERBB2EPHB4EGFRRIPK2RET
SCHEMBL24714039 0.84 ENPP1 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL29834791 0.84 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL30822064 0.84 ENPP1 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL29834734 0.84 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL665187 0.84 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL2453138 0.84 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B

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
CN-119325471-A EGFR inhibitors 缆图药品公司 2025-01-17 — — CN disclosed
Send feedback