SCHEMBL31037513

SCHEMBL31037513

O=C(NCCc1cccnc1)Nc1ccc(-c2ccncc2)c(C#Cc2ccc(C(=O)NCCN3CCC4(CCNC4)CC3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 10/20 0.45
▸ HIF1A Q16665 3/20 0.39
▸ EPAS1 Q99814 3/20 0.39
▸ PLD2 O14939 1/20 0.38
▸ ROCK2 O75116 3/20 0.38
▸ BRAF P15056 1/20 0.36
▸ PTAFR P25105 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
SCHEMBL31037297 0.91 NAMPT (0.44) NAMPTHIF1AEPAS1ROCK2BRAF
SCHEMBL31037343 0.88 NAMPT (0.53) NAMPTHIF1AEPAS1BRAF
SCHEMBL31037481 0.88 NAMPT (0.53) NAMPTHIF1AEPAS1BRAF
SCHEMBL31037295 0.85 NAMPT (0.42) NAMPTHIF1AEPAS1ROCK2PTAFR
SCHEMBL31037340 0.85 NAMPT (0.39) NAMPTHIF1AEPAS1PLD2
SCHEMBL31037264 0.84 NAMPT (0.43) NAMPTHIF1AEPAS1ROCK2BRAF
SCHEMBL31037288 0.82 MAPK14 (0.42) NAMPTHIF1AEPAS1
SCHEMBL31037243 0.81 ROCK2 (0.43) NAMPTHIF1AEPAS1ROCK2
SCHEMBL31037282 0.81 NAMPT (0.42) NAMPTHIF1AEPAS1ROCK2
SCHEMBL31037269 0.79 ROCK2 (0.46) NAMPTROCK2PTAFR

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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