SCHEMBL30127280

SCHEMBL30127280

CC(C)(C)OC(=O)N1CCC(c2ccc3ncnc(Cl)c3c2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.52
▸ PIK3CD O00329 5/20 0.49
▸ PIK3CA P42336 3/20 0.49
▸ PIK3CB P42338 2/20 0.49
▸ PIK3CG P48736 2/20 0.49
▸ CNR1 P21554 1/20 0.45
▸ HPGDS O60760 1/20 0.44
▸ TP53 P04637 3/20 0.44
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ TLR9 Q9NR96 1/20 0.41
▸ TLR8 Q9NR97 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ CCNK O75909 1/20 0.41
▸ CDK12 Q9NYV4 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ DDB1 Q16531 1/20 0.41
▸ CRBN Q96SW2 1/20 0.41

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
SCHEMBL30125994 0.95 PDE4B (0.47) PDE4BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30126593 0.92 PIK3CD (0.44) PDE4BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30126000 0.89 PDE4B (0.53) PDE4BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30127359 0.84 PDE4B (0.48) PDE4BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30125750 0.82 PIK3CD (0.51) PDE4BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30125883 0.82 PIK3CD (0.51) PDE4BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30126517 0.82 PIK3CD (0.51) PDE4BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30127389 0.82 PIK3CD (0.51) PDE4BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL31017634 0.81 PDE4B (0.50) PDE4BHPGDSTP53MAPTLMNA
SCHEMBL25831131 0.81 PDE4B (0.50) PDE4BHPGDSTP53MAPTLMNA

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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