SCHEMBL29200667

SCHEMBL29200667

CC(C)(C)OC(=O)N1CC(C#N)C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.43
▸ JAK1 P23458 6/20 0.43
▸ RORC P51449 3/20 0.40
▸ GPR119 Q8TDV5 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ USP30 Q70CQ3 3/20 0.38
▸ BACE1 P56817 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL31377218 0.85 RORC (0.43) RORCGPR119NAMPTUSP30KDM4E
SCHEMBL29200673 0.81 NAMPT (0.41) JAK2JAK1RORCGPR119NAMPT
SCHEMBL19063842 0.81 NR1H2 (0.41) JAK2JAK1RORCGPR119NAMPT
SCHEMBL19063844 0.81 NR1H2 (0.41) JAK2JAK1RORCGPR119NAMPT
SCHEMBL10105773 0.81 RORC (0.46) RORCGPR119NAMPTUSP30KDM4E
SCHEMBL30922985 0.81 GPR119 (0.40) JAK2JAK1RORCGPR119NAMPT
SCHEMBL2930634 0.79 USP2 (0.40) JAK2JAK1GPR119
SCHEMBL2937600 0.79 USP2 (0.40) JAK2JAK1GPR119
SCHEMBL2930976 0.79 USP2 (0.40) JAK2JAK1GPR119
SCHEMBL2930633 0.79 USP2 (0.40) JAK2JAK1GPR119

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-117659022-A Ureido substituted pyridine compound, pharmaceutical composition containing ureido substituted pyridine compound and medical application of ureido substituted pyridine compound 苏州阿尔脉生物科技有限公司 2024-03-08 — — CN disclosed
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