SCHEMBL30126904

SCHEMBL30126904

CC(C)(C)OC(=O)N1CCOC(c2ccc3ncnc(Oc4ccc(Cl)c(Cl)c4F)c3c2)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 4/20 0.45
▸ PIK3CA P42336 3/20 0.45
▸ PIK3CB P42338 2/20 0.45
▸ PIK3CG P48736 2/20 0.45
▸ EPHA2 P29317 7/20 0.44
▸ EPHB4 P54760 4/20 0.44
▸ ERBB2 P04626 1/20 0.44
▸ GPR119 Q8TDV5 1/20 0.37
▸ PDE10A Q9Y233 3/20 0.36
▸ MALT1 Q9UDY8 1/20 0.36
▸ BRAF P15056 1/20 0.35
▸ KDR P35968 3/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ GRIN2B Q13224 1/20 0.34

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
SCHEMBL30127389 0.88 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGEPHA2
SCHEMBL30125750 0.88 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGEPHA2
SCHEMBL30126517 0.88 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGEPHA2
SCHEMBL30125883 0.88 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGEPHA2
SCHEMBL30127558 0.86 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGEPHA2
SCHEMBL30125786 0.86 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGEPHA2
SCHEMBL30126934 0.86 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGEPHA2
SCHEMBL30125952 0.86 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGEPHA2
SCHEMBL30126703 0.80 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBPIK3CGEPHA2
SCHEMBL30127470 0.80 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGGPR119

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-2022266458-A1 6-HETEROCYCLOALKYL-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 — — WO disclosed
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