SCHEMBL28983490

SCHEMBL28983490

CC(C)(C)OC(=O)N1CCC(Oc2cc3c(Cl)ncnc3cc2OC2CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.48
▸ PIK3CA P42336 2/20 0.48
▸ PIK3CB P42338 2/20 0.48
▸ PIK3CG P48736 2/20 0.48
▸ PDE4B Q07343 2/20 0.47
▸ PDE4D Q08499 2/20 0.47
▸ PDE4A P27815 1/20 0.47
▸ PDE4C Q08493 1/20 0.47
▸ GPR119 Q8TDV5 8/20 0.46
▸ EGFR P00533 5/20 0.45
▸ ERBB2 P04626 4/20 0.45
▸ NPBWR1 P48145 1/20 0.45
▸ MCHR1 Q99705 1/20 0.45
▸ BRAF P15056 1/20 0.44

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
SCHEMBL30822064 0.95 ENPP1 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL24714039 0.95 ENPP1 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL2453138 0.95 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL29465790 0.95 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL29465791 0.95 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL665187 0.95 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL28983518 0.92 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL29834791 0.89 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL29834734 0.89 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL28983517 0.89 GPR119 (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115803326-B EGFR inhibitor, preparation method thereof and application thereof in pharmacy 上海和誉生物医药科技有限公司 2024-03-26 — — CN disclosed
CN-115803326-A EGFR inhibitor, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2023-03-14 — — CN disclosed
WO-2022105908-A1 EGFR INHIBITOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF 上海和誉生物医药科技有限公司 2022-05-27 — — WO disclosed
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