SCHEMBL30127359

SCHEMBL30127359

CC(C)(C)OC(=O)N1CCCC(c2ccc3ncnc(O)c3c2)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.48
▸ PIK3CD O00329 4/20 0.47
▸ PIK3CA P42336 3/20 0.47
▸ PIK3CB P42338 2/20 0.47
▸ PIK3CG P48736 2/20 0.47
▸ JAK2 O60674 1/20 0.45
▸ JAK1 P23458 1/20 0.45
▸ HPGDS O60760 1/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ PRMT5 O14744 1/20 0.42
▸ HCAR1 Q9BXC0 1/20 0.41
▸ MAP4K4 O95819 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.40
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ CHEK2 O96017 2/20 0.40
▸ TRPV3 Q8NET8 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
SCHEMBL30126000 0.95 PDE4B (0.53) PDE4BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30126933 0.91 PIK3CD (0.44) PDE4BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30125994 0.89 PDE4B (0.47) PDE4BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30127280 0.84 PDE4B (0.52) PDE4BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30126906 0.84 HPGDS (0.44) PDE4BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30125786 0.79 PIK3CD (0.48) PDE4BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30126934 0.79 PIK3CD (0.48) PDE4BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30126593 0.79 PIK3CD (0.44) PDE4BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30961867 0.79 PDE4B (0.42) PDE4BPIK3CDJAK2JAK1HPGDS
SCHEMBL20748135 0.78 PDE4B (0.53) PDE4BJAK2JAK1HPGDSPRMT5

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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