SCHEMBL30127558

SCHEMBL30127558

CC(C)(C)OC(=O)N1CCCC(c2ccc3ncnc(Oc4ccc(Cl)c(Cl)c4F)c3c2)C1.CC(C)(C)OC(=O)N1CCC[C@@H](c2ccc3ncnc(Oc4ccc(Cl)c(Cl)c4F)c3c2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 4/20 0.48
▸ PIK3CA P42336 3/20 0.48
▸ PIK3CB P42338 2/20 0.48
▸ PIK3CG P48736 2/20 0.48
▸ PDE4B Q07343 1/20 0.43
▸ GPR119 Q8TDV5 1/20 0.39
▸ ALOX5AP P20292 2/20 0.39
▸ FEN1 P39748 2/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ ERBB2 P04626 1/20 0.37
▸ EPHA2 P29317 1/20 0.37
▸ EPHB4 P54760 1/20 0.37
▸ HPGDS O60760 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ TRPV3 Q8NET8 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ PRMT5 O14744 1/20 0.36

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
SCHEMBL30125952 1.00 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL30126934 1.00 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL30125786 1.00 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL30125750 0.96 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL30127389 0.96 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL30126517 0.96 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL30125883 0.96 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL30126489 0.86 EGFR (0.48) ERBB2EPHB4EGFR
SCHEMBL30125755 0.86 EGFR (0.48) ERBB2EPHB4EGFR
SCHEMBL30127470 0.86 PIK3CD (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 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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