SCHEMBL31037447

SCHEMBL31037447

CC(=O)Nc1ccc(C#Cc2cc(NC(=O)NCCc3cccnc3)ccc2-c2ccncc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 3/20 0.49
▸ ROCK1 Q13464 1/20 0.49
▸ NAMPT P43490 4/20 0.46
▸ PRMT3 O60678 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ PTGIR P43119 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL31037302 0.90 NAMPT (0.51) ROCK2ROCK1NAMPTPRMT3CYP11B1
SCHEMBL31037281 0.90 ROCK2 (0.48) ROCK2ROCK1NAMPTPRMT3L3MBTL1
SCHEMBL31037269 0.89 ROCK2 (0.46) ROCK2ROCK1NAMPTPRMT3TSHR
SCHEMBL31037299 0.87 NAMPT (0.53) ROCK2ROCK1NAMPTPRMT3ALDH1A1
SCHEMBL31037325 0.85 ROCK2 (0.46) ROCK2ROCK1NAMPTPRMT3TSHR
SCHEMBL31037486 0.84 ROCK2 (0.54) ROCK2ROCK1NAMPTPRMT3TSHR
SCHEMBL31037243 0.82 ROCK2 (0.43) ROCK2ROCK1NAMPTPRMT3
SCHEMBL31744293 0.82 NAMPT (0.46) ROCK2ROCK1NAMPTPRMT3ALDH1A1
SCHEMBL31037327 0.81 PRMT3 (0.55) ROCK2ROCK1NAMPTPRMT3
SCHEMBL31037258 0.79 ROCK2 (0.57) ROCK2ROCK1NAMPTPRMT3TSHR

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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