SCHEMBL31634705

SCHEMBL31634705

Cc1nc(NC2CN(C(=O)OC(C)(C)C)CC23CC3)ccc1-c1cnn(C)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 10/20 0.42
▸ IRAK1 P51617 1/20 0.41
▸ USP30 Q70CQ3 2/20 0.41
▸ GPR119 Q8TDV5 1/20 0.40
▸ CCNA2 P20248 4/20 0.39
▸ CDK2 P24941 4/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ RET P07949 4/20 0.39
▸ AURKA O14965 3/20 0.39
▸ LRRK2 Q5S007 1/20 0.38

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
SCHEMBL30948978 1.00 TTK (0.42) TTKIRAK1USP30GPR119CCNA2
SCHEMBL31634688 0.84 PIM1 (0.32) GPR119
SCHEMBL30948989 0.84 PIM1 (0.32) GPR119
SCHEMBL30948962 0.83 KAT8 (0.38) TTK
SCHEMBL31634680 0.83 MC4R (0.46) GPR119
SCHEMBL30948968 0.83 MC4R (0.46) GPR119
SCHEMBL31634671 0.83 KAT8 (0.38) TTK
SCHEMBL30948967 0.83 MC4R (0.46) GPR119
SCHEMBL31634709 0.83 MC4R (0.40) GPR119
SCHEMBL31634661 0.82 MC4R (0.38) —

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-120202199-A MC4R antagonist compound, pharmaceutical composition and application thereof in medicine 长春金赛药业有限责任公司 2025-06-24 — — CN disclosed
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