SCHEMBL30161700

SCHEMBL30161700

CC(C)(C)OC(=O)N1CCC(Cc2cc(-c3ccc(O)cc3)cc3c2cnn3C2CCCCO2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 7/20 0.42
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ TGFBR1 P36897 1/20 0.41
▸ PIK3CA P42336 2/20 0.40
▸ MTOR P42345 2/20 0.40
▸ PIK3CG P48736 2/20 0.40
▸ ATR Q13535 2/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ PTPN2 P17706 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ PTPN6 P29350 1/20 0.39
▸ LMNA P02545 4/20 0.39
▸ TP53 P04637 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KRAS P01116 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ THRB P10828 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
SCHEMBL20699344 1.00 GPR119 (0.42) GPR119RXRARXRBRXRGTGFBR1
SCHEMBL20699375 0.86 TP53 (0.43) GPR119LMNATP53MAPTKRAS
SCHEMBL30161908 0.86 TP53 (0.43) GPR119LMNATP53MAPTKRAS
SCHEMBL21486175 0.85 RXRA (0.40) RXRARXRBRXRGATRKRAS
SCHEMBL20711771 0.85 GPR119 (0.43) GPR119RXRARXRBRXRGTGFBR1
SCHEMBL29607199 0.85 GPR119 (0.43) GPR119RXRARXRBRXRGTGFBR1
SCHEMBL29608306 0.83 PIK3CD (0.40) GPR119RXRARXRBRXRGPIK3CA
SCHEMBL20699398 0.83 RXRA (0.41) GPR119RXRARXRBRXRGATR
SCHEMBL20711775 0.83 PIK3CD (0.40) GPR119RXRARXRBRXRGPIK3CA
SCHEMBL30161515 0.83 RXRA (0.41) GPR119RXRARXRBRXRGATR

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-111032646-B Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors 施万生物制药研发IP有限责任公司 2023-01-03 — — CN disclosed
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