SCHEMBL30126593

SCHEMBL30126593

CC(C)(C)OC(=O)N1CC(c2ccc3ncnc(Cl)c3c2)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 4/20 0.44
▸ PIK3CA P42336 3/20 0.44
▸ PIK3CB P42338 2/20 0.44
▸ PIK3CG P48736 2/20 0.44
▸ PDE4B Q07343 2/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ SLC34A1 Q06495 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ RORC P51449 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL30127280 0.92 PDE4B (0.52) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL30125994 0.91 PDE4B (0.47) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL30126933 0.88 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL29781273 0.82 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGIRAK4
SCHEMBL30127470 0.80 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL30126349 0.80 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL30126000 0.80 PDE4B (0.53) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL30127359 0.79 PDE4B (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL25222714 0.77 PDE4B (0.48) PDE4BUSP30RORCKDM4EMEN1
SCHEMBL5564929 0.77 PIK3CD (0.51) 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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