SCHEMBL30125744

SCHEMBL30125744

CC(C)(C)OC(=O)N1CCC2C1CCN2c1ccc2ncnc(O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 4/20 0.39
▸ PIK3CA P42336 4/20 0.39
▸ PIK3CB P42338 2/20 0.39
▸ PIK3CG P48736 2/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ MAP4K4 O95819 2/20 0.38
▸ GPR119 Q8TDV5 5/20 0.36
▸ LCK P06239 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL30126118 0.89 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBPIK3CGIRAK4
SCHEMBL30125919 0.83 GPR119 (0.43) PIK3CDPIK3CAPIK3CBPIK3CGIRAK4
SCHEMBL30127290 0.78 EGFR (0.49) BTK
SCHEMBL30127016 0.73 USP30 (0.45) PIK3CDPIK3CAPIK3CBPIK3CGIRAK4
SCHEMBL30126000 0.71 PDE4B (0.53) PIK3CDPIK3CAPIK3CBPIK3CGIRAK4
SCHEMBL30126197 0.71 NR1H2 (0.41) GPR119LCKJAK3BTKNR1H2
SCHEMBL30127359 0.71 PDE4B (0.48) PIK3CDPIK3CAPIK3CBPIK3CGIRAK4
SCHEMBL22957579 0.70 TP53 (0.40) GPR119LCKJAK3BTK
SCHEMBL30126933 0.70 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBPIK3CGIRAK4
SCHEMBL30880000 0.70 RIPK1 (0.46) GPR119LCKJAK3BTKNR1H2

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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