SCHEMBL31318205

SCHEMBL31318205

CC1(NC(=O)OC(C)(C)C)CCN(Cc2nc(Cl)ncc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 1/20 0.46
▸ STK17A Q9UEE5 1/20 0.46
▸ DRD2 P14416 6/20 0.38
▸ RET P07949 6/20 0.37
▸ NPFFR1 Q9GZQ6 1/20 0.36
▸ NPFFR2 Q9Y5X5 1/20 0.36
▸ MAPKAPK2 P49137 1/20 0.34
▸ PDCD1 Q15116 2/20 0.34
▸ CD274 Q9NZQ7 2/20 0.34
▸ P4HB P07237 1/20 0.34
▸ MCHR1 Q99705 1/20 0.33
▸ FLT4 P35916 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
SCHEMBL31318206 0.79 MAP3K7 (0.47) —
SCHEMBL30621963 0.78 DPP4 (0.32) DRD2MCHR1
SCHEMBL29097568 0.78 DPP4 (0.32) DRD2MCHR1
SCHEMBL31318199 0.75 ALK (0.54) —
SCHEMBL1997960 0.75 NPFFR1 (0.58) DRD2NPFFR1NPFFR2MCHR1
SCHEMBL29097567 0.75 PDCD1 (0.33) STK17BSTK17APDCD1CD274FLT4
SCHEMBL29097706 0.74 SCN9A (0.34) —
SCHEMBL30621970 0.74 SCN9A (0.34) —
SCHEMBL30621964 0.73 PTPN11 (0.39) PDCD1CD274
SCHEMBL29097722 0.73 PTPN11 (0.39) PDCD1CD274

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-2025011447-A1 PYRIMIDINAMINE NUAK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 特科罗生物科技(成都)有限公司 2025-01-16 — — WO disclosed
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