SCHEMBL31330046

SCHEMBL31330046

CC(C)(C)OC(=O)Nc1cc(Cl)cc(C2CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 2/20 0.40
▸ TGFBR1 P36897 1/20 0.39
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ DGAT1 O75907 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TMIGD3 P0DMS9 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ ATR Q13535 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ BRD2 P25440 1/20 0.36
▸ BRD3 Q15059 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ ACACB O00763 1/20 0.36
▸ ACACA Q13085 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ CNR1 P21554 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
SCHEMBL31530967 0.87 MAPKAPK2 (0.40) MAPKAPK2TGFBR1GSK3BDYRK1ADGAT1
SCHEMBL16147173 0.82 ATR (0.45) MAPKAPK2GSK3BDYRK1ASCN9AATR
SCHEMBL31248850 0.82 ATR (0.45) MAPKAPK2GSK3BDYRK1ASCN9AATR
SCHEMBL21590399 0.79 CYP1A2 (0.41) GSK3BDYRK1ACYP3A4CYP2C19SCN9A
SCHEMBL19013519 0.78 TGFBR1 (0.44) MAPKAPK2TGFBR1GSK3BDYRK1ADGAT1
SCHEMBL31235341 0.78 LCK (0.39) MAPKAPK2GSK3BDYRK1ASCN9AATR
SCHEMBL31093794 0.77 MAPKAPK2 (0.39) MAPKAPK2TGFBR1DGAT1GAACYP3A4
SCHEMBL31330039 0.76 MAPKAPK2 (0.38) MAPKAPK2TGFBR1DGAT1TMIGD3ADORA1
SCHEMBL31323628 0.76 MAPKAPK2 (0.40) MAPKAPK2TGFBR1DGAT1TMIGD3ADORA1
SCHEMBL15263847 0.76 TGFBR1 (0.42) MAPKAPK2TGFBR1GSK3BDYRK1ADGAT1

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-2024249817-A1 TRICYCLIC PKMYT1 KINASE INHIBITORS ENLIVEN INC. (US) 2024-12-05 — — WO disclosed
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