SCHEMBL31744282

SCHEMBL31744282

CC(C)(C)OC(=O)NC1CCCN(c2ccc(NC(=O)Oc3ccccc3)cc2C#Cc2ccc(C(=O)NCCN3CCCCC3)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 1/20 0.41
▸ ACHE P22303 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ DRD2 P14416 3/20 0.39
▸ DRD4 P21917 2/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ KDR P35968 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ DPP4 P27487 4/20 0.37
▸ F10 P00742 1/20 0.37
▸ RET P07949 1/20 0.37
▸ NR1I3 Q14994 1/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ BTK Q06187 2/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36

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
SCHEMBL31037261 0.86 MAP4K4 (0.41) CD274DRD2DRD4DRD3F10
SCHEMBL31037276 0.84 CD274 (0.41) CD274ACHEBACE1DRD2DRD4
SCHEMBL31037278 0.84 NAMPT (0.40) CD274ACHEBACE1RETBTK
SCHEMBL31037304 0.84 ALDH1A1 (0.43) CD274DRD2DRD4DRD3DPP4
SCHEMBL31037458 0.81 MAP4K4 (0.36) CD274DRD2DRD4DRD3DPP4
SCHEMBL31037338 0.79 HRH3 (0.41) DRD2DRD4DRD3KDRFLT3
SCHEMBL31037250 0.77 KDR (0.46) DRD2DRD4DRD3KDRFLT3
SCHEMBL31037307 0.76 NAMPT (0.47) KDRFLT3GLAL3MBTL1MCHR1
SCHEMBL31744280 0.74 MAPK14 (0.46) CD274DRD2DRD4DRD3KDR
SCHEMBL31037277 0.72 CYP2D6 (0.47) CD274DRD2DRD4DRD3BTK

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
EP-4663628-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Samjin Pharmaceutical Co., Ltd. (KR) 2025-12-17 — — EP disclosed
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