SCHEMBL31037302

SCHEMBL31037302

O=C(NCCc1cccnc1)Nc1ccc(-c2ccncc2)c(C#Cc2ccc(F)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 9/20 0.51
▸ ROCK2 O75116 4/20 0.48
▸ ROCK1 Q13464 1/20 0.48
▸ PRMT3 O60678 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CNR1 P21554 1/20 0.40

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
SCHEMBL31037281 0.91 ROCK2 (0.48) NAMPTROCK2ROCK1PRMT3LMNA
SCHEMBL31037447 0.90 ROCK2 (0.49) NAMPTROCK2ROCK1PRMT3SMN1; SMN2
SCHEMBL31037327 0.90 PRMT3 (0.55) NAMPTROCK2ROCK1PRMT3LMNA
SCHEMBL31037269 0.90 ROCK2 (0.46) NAMPTROCK2ROCK1PRMT3SMN1; SMN2
SCHEMBL31037468 0.89 LMNA (0.44) NAMPTROCK2ROCK1PRMT3LMNA
SCHEMBL31037371 0.89 NAMPT (0.48) NAMPTROCK2ROCK1PRMT3RAB9A
SCHEMBL31037299 0.88 NAMPT (0.53) NAMPTROCK2ROCK1PRMT3SMN1; SMN2
SCHEMBL31037522 0.87 NAMPT (0.49) NAMPTROCK2ROCK1PRMT3RAB9A
SCHEMBL31037293 0.86 LMNA (0.48) NAMPTPRMT3LMNASMN1; SMN2L3MBTL1
SCHEMBL31037286 0.86 LMNA (0.48) NAMPTPRMT3LMNASMN1; SMN2L3MBTL1

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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