SCHEMBL31744301

SCHEMBL31744301

CC(C)(C)OC(=O)N1CCC(c2ccc(C#Cc3cc(NC(=O)NCc4ccn5ccnc5c4)ccc3-c3ccncc3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 7/20 0.47
▸ WNT3A P56704 1/20 0.40
▸ JAK2 O60674 5/20 0.40
▸ JAK3 P52333 5/20 0.40
▸ PTK2 Q05397 5/20 0.40
▸ KEAP1 Q14145 3/20 0.39
▸ NFE2L2 Q16236 3/20 0.39
▸ GPR119 Q8TDV5 1/20 0.36
▸ RET P07949 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.35
▸ MASP2 O00187 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
SCHEMBL31744286 0.86 JAK3 (0.39) NAMPTJAK3MASP2
SCHEMBL15376674 0.86 NAMPT (0.53) NAMPTWNT3AJAK2JAK3PTK2
SCHEMBL31744299 0.83 NAMPT (0.38) NAMPTWNT3ARET
SCHEMBL15376951 0.81 NAMPT (0.50) NAMPTWNT3AKEAP1NFE2L2USP30
SCHEMBL31744290 0.81 NAMPT (0.45) NAMPT
SCHEMBL15376073 0.78 NAMPT (0.46) NAMPTMASP2
SCHEMBL31037472 0.78 NAMPT (0.47) NAMPTWNT3AJAK2JAK3PTK2
SCHEMBL15376266 0.77 NAMPT (0.51) NAMPT
SCHEMBL15377846 0.77 NAMPT (0.46) NAMPTWNT3AJAK3
SCHEMBL31037312 0.76 GPR119 (0.45) NAMPTWNT3AJAK2JAK3PTK2

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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