SCHEMBL31037335

SCHEMBL31037335

CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)NCCc3cccnc3)cc2C#Cc2ccc(F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 3/20 0.44
▸ NFE2L2 Q16236 3/20 0.44
▸ NAMPT P43490 10/20 0.42
▸ ALK Q9UM73 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ REV1 Q9UBZ9 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ PRMT3 O60678 1/20 0.37

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
SCHEMBL31037296 0.90 ALK (0.41) KEAP1NFE2L2NAMPTALKGPR119
SCHEMBL31037242 0.89 NPY2R (0.39) KEAP1NFE2L2NAMPTALKLMNA
SCHEMBL31037254 0.86 NAMPT (0.46) NAMPTALKLMNAPRMT3
SCHEMBL31037262 0.84 MAPT (0.41) NAMPTALKLMNA
SCHEMBL31037293 0.78 LMNA (0.48) NAMPTLMNAPRMT3
SCHEMBL31037286 0.78 LMNA (0.48) NAMPTLMNAPRMT3
SCHEMBL31037301 0.77 NAMPT (0.50) NAMPTLMNAPRMT3
SCHEMBL31037303 0.76 ALOX15 (0.43) NAMPTGPR119
SCHEMBL31037498 0.76 LMNA (0.44) NAMPTLMNAPRMT3
SCHEMBL31037302 0.76 NAMPT (0.51) NAMPTLMNAPRMT3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4663628-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Samjin Pharmaceutical Co., Ltd. (KR) 2025-12-17 — — EP disclosed
WO-2024166024-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-08-15 — — WO disclosed
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