SCHEMBL30718255

SCHEMBL30718255

COc1ccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.58
SMPD3 Q9NY59 2/20 0.55
ACHE P22303 2/20 0.52
GPR119 Q8TDV5 3/20 0.52
TBK1 Q9UHD2 1/20 0.51
CHRNA7 P36544 1/20 0.49
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
MTOR P42345 1/20 0.46
TLR9 Q9NR96 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
PIK3CD O00329 2/20 0.45
PIK3CA P42336 2/20 0.45

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
SCHEMBL27029498 1.00 CFTR (0.58) CFTRSMPD3ACHEGPR119TBK1
SCHEMBL30718196 0.87 GPR119 (0.54) CFTRSMPD3ACHEGPR119TBK1
SCHEMBL27029500 0.87 GPR119 (0.54) CFTRSMPD3ACHEGPR119TBK1
SCHEMBL29931553 0.86 KDM4E (0.52) CFTRCA2CA9MTORMEN1
SCHEMBL3651086 0.84 ACHE (0.57) ACHEGPR119TBK1CHRNA7DDB1
SCHEMBL8514838 0.83 ACHE (0.51) ACHEGPR119TBK1CHRNA7CA2
SCHEMBL8511601 0.83 ACHE (0.47) CFTRACHEGPR119TBK1CHRNA7
SCHEMBL8515547 0.83 ACHE (0.47) CFTRACHEGPR119TBK1CHRNA7
SCHEMBL3274585 0.83 ACHE (0.66) ACHEGPR119TBK1CHRNA7DDB1
SCHEMBL30831452 0.82 ACHE (0.57) ACHEGPR119CHRNA7DDB1CRBN

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
CN-117157284-A CTLA-4 small molecule degradation agent and application thereof 苏州国匡医药科技有限公司 2023-12-01 CN disclosed