SCHEMBL29070892

SCHEMBL29070892

COc1c(NC(=O)OC(=O)OC(C)(C)C)ncnc1NC1CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.41
GPR119 Q8TDV5 4/20 0.39
TBK1 Q9UHD2 2/20 0.39
IRAK4 Q9NWZ3 3/20 0.38
SYK P43405 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PIK3CA P42336 1/20 0.36
PIK3CD O00329 1/20 0.35

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
SCHEMBL11913075 0.72 GPR119 (0.55) BTKGPR119TBK1IRAK4ALDH1A1
SCHEMBL9609068 0.71 BTK (0.51) BTKTBK1PIK3CD
SCHEMBL28242283 0.70 ATR (0.33)
SCHEMBL26706731 0.70 ATR (0.47)
SCHEMBL9608997 0.68 TBK1 (0.45) BTKTBK1IRAK4
SCHEMBL6919883 0.68 TBK1 (0.53) BTKGPR119TBK1ALDH1A1PIK3CA
SCHEMBL5930541 0.67 PIK3CD (0.51) BTKGPR119PIK3CAPIK3CD
SCHEMBL5930539 0.67 PIK3CD (0.51) BTKGPR119PIK3CAPIK3CD
SCHEMBL19004853 0.67 IRAK4 (0.43) IRAK4ALDH1A1
SCHEMBL29070891 0.67 CHRM3 (0.35) BTKTBK1SYKALDH1A1

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-116490505-A MNK inhibitors 和博医药有限公司 2023-07-25 CN disclosed