SCHEMBL31037264

SCHEMBL31037264

NC1CCCN(CCNC(=O)c2ccc(C#Cc3cc(NC(=O)NCCc4cccnc4)ccc3-c3ccncc3)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 8/20 0.43
▸ HIF1A Q16665 4/20 0.40
▸ EPAS1 Q99814 4/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ ROCK2 O75116 2/20 0.39
▸ BRAF P15056 1/20 0.39
▸ PTAFR P25105 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ CHRNA7 P36544 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
SCHEMBL31037295 0.96 NAMPT (0.42) NAMPTHIF1AEPAS1ROCK2PTAFR
SCHEMBL31037481 0.91 NAMPT (0.53) NAMPTHIF1AEPAS1BRAFABL1
SCHEMBL31037343 0.91 NAMPT (0.53) NAMPTHIF1AEPAS1BRAFABL1
SCHEMBL31037282 0.91 NAMPT (0.42) NAMPTHIF1AEPAS1ROCK2
SCHEMBL31037446 0.88 HIF1A (0.36) NAMPTHIF1AEPAS1ROCK2PTAFR
SCHEMBL31037329 0.88 NAMPT (0.45) NAMPTHIF1AEPAS1KDM1AABL1
SCHEMBL31037245 0.88 NAMPT (0.39) NAMPTHIF1AEPAS1
SCHEMBL31037297 0.87 NAMPT (0.44) NAMPTHIF1AEPAS1ROCK2BRAF
SCHEMBL31037274 0.85 NAMPT (0.41) NAMPTHIF1AEPAS1KDM1AROCK2
SCHEMBL31744293 0.84 NAMPT (0.46) NAMPTHIF1AEPAS1KDM1AROCK2

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
Send feedback