SCHEMBL30948962

SCHEMBL30948962

Cc1nc(N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)ccc1-c1cn(C)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KAT8 Q9H7Z6 5/20 0.38
▸ KAT5 Q92993 2/20 0.38
▸ KAT6A Q92794 3/20 0.36
▸ SYK P43405 1/20 0.34
▸ PIK3R1 P27986 2/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ CDK9 P50750 3/20 0.33
▸ CCNT1 O60563 2/20 0.33
▸ TTK P33981 2/20 0.33
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ F13A1 P00488 1/20 0.33
▸ TGM2 P21980 1/20 0.33
▸ TGM1 P22735 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ MC4R P32245 1/20 0.33

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
SCHEMBL31634671 1.00 KAT8 (0.38) KAT8KAT5KAT6ASYKPIK3R1
SCHEMBL31634688 0.87 PIM1 (0.32) SYKCDK9CCNT1DDB1CRBN
SCHEMBL30948989 0.87 PIM1 (0.32) SYKCDK9CCNT1DDB1CRBN
SCHEMBL31634680 0.84 MC4R (0.46) DDB1CRBNF13A1TGM2TGM1
SCHEMBL30948967 0.84 MC4R (0.46) DDB1CRBNF13A1TGM2TGM1
SCHEMBL30948968 0.84 MC4R (0.46) DDB1CRBNF13A1TGM2TGM1
SCHEMBL31634709 0.84 MC4R (0.40) SYKDDB1CRBNF13A1TGM2
SCHEMBL30948978 0.83 TTK (0.42) TTK
SCHEMBL31634705 0.83 TTK (0.42) TTK
SCHEMBL30948963 0.82 MC4R (0.38) DDB1CRBNF13A1TGM2TGM1

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
WO-2024104452-A1 MC4R ANTAGONIST COMPOUND, PHARMACEUTICAL COMPOSITION AND PHARMACEUTICAL USE THEREOF 长春金赛药业有限责任公司 2024-05-23 — — WO disclosed
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