SCHEMBL31037258

SCHEMBL31037258

O=C(NCCc1cccnc1)Nc1ccc(-c2ccncc2)c(I)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 5/20 0.57
▸ ROCK1 Q13464 2/20 0.57
▸ PRMT3 O60678 1/20 0.54
▸ NAMPT P43490 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ RAB9A P51151 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TSHR P16473 1/20 0.45
▸ POLB P06746 1/20 0.45

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
SCHEMBL31037475 0.89 ROCK2 (0.50) ROCK2ROCK1PRMT3NAMPTL3MBTL1
SCHEMBL31037486 0.85 ROCK2 (0.54) ROCK2ROCK1PRMT3NAMPTL3MBTL1
SCHEMBL31037302 0.79 NAMPT (0.51) ROCK2ROCK1PRMT3NAMPTL3MBTL1
SCHEMBL31037281 0.79 ROCK2 (0.48) ROCK2ROCK1PRMT3NAMPTL3MBTL1
SCHEMBL31037447 0.79 ROCK2 (0.49) ROCK2ROCK1PRMT3NAMPTL3MBTL1
SCHEMBL31037269 0.78 ROCK2 (0.46) ROCK2ROCK1PRMT3NAMPTL3MBTL1
SCHEMBL31037325 0.78 ROCK2 (0.46) ROCK2ROCK1PRMT3NAMPTL3MBTL1
SCHEMBL31037300 0.78 ROCK2 (0.52) ROCK2ROCK1NAMPT
SCHEMBL18317190 0.77 NAMPT (0.62) ROCK2ROCK1PRMT3NAMPTL3MBTL1
SCHEMBL31037299 0.77 NAMPT (0.53) ROCK2ROCK1PRMT3NAMPTL3MBTL1

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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