SCHEMBL31037330

SCHEMBL31037330

O=C(NCCCc1cn[nH]c1)Nc1ccc(-c2ccncc2)c(C#Cc2ccc(F)cc2)c1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 11/20 0.77
▸ ROCK2 O75116 4/20 0.44
▸ BLM P54132 3/20 0.44
▸ WRN Q14191 1/20 0.44
▸ PRMT3 O60678 1/20 0.41
▸ KMT2A Q03164 1/20 0.39
▸ ROCK1 Q13464 1/20 0.38

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
SCHEMBL29478198 0.87 NAMPT (1.00) NAMPTROCK2ROCK1
SCHEMBL16869651 0.87 NAMPT (1.00) NAMPTROCK2ROCK1
SCHEMBL31037302 0.81 NAMPT (0.51) NAMPTROCK2PRMT3ROCK1
SCHEMBL31037300 0.81 ROCK2 (0.52) NAMPTROCK2BLMWRNROCK1
SCHEMBL31037522 0.79 NAMPT (0.49) NAMPTROCK2PRMT3ROCK1
SCHEMBL31037371 0.79 NAMPT (0.48) NAMPTROCK2PRMT3KMT2AROCK1
SCHEMBL18270182 0.79 NAMPT (0.86) NAMPTROCK2ROCK1
SCHEMBL16869603 0.78 NAMPT (0.84) NAMPTROCK2ROCK1
SCHEMBL22212144 0.77 NAMPT (0.82) NAMPTROCK2ROCK1
SCHEMBL31037256 0.77 ALOX15 (0.46) NAMPTKMT2A

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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