SCHEMBL31037522

SCHEMBL31037522

Nc1ccc(CCNC(=O)Nc2ccc(-c3ccncc3)c(C#Cc3ccc(F)cc3)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 7/20 0.49
▸ ROCK2 O75116 5/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ FPR2 P25090 1/20 0.39
▸ PRMT3 O60678 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CDK8 P49336 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
SCHEMBL31037468 0.89 LMNA (0.44) NAMPTROCK2ROCK1CNR1PRMT3
SCHEMBL31037302 0.87 NAMPT (0.51) NAMPTROCK2ROCK1CNR1NPC1
SCHEMBL31037241 0.87 NAMPT (0.46) NAMPTROCK2ROCK1CNR1NPC1
SCHEMBL31037371 0.83 NAMPT (0.48) NAMPTROCK2ROCK1CNR1NPC1
SCHEMBL31037292 0.82 NAMPT (0.45) NAMPTROCK2ROCK1CNR1NPC1
SCHEMBL31037470 0.82 NAMPT (0.42) NAMPTROCK2ROCK1CNR1NPC1
SCHEMBL31037281 0.82 ROCK2 (0.48) NAMPTROCK2ROCK1NPC1RAB9A
SCHEMBL31037330 0.79 NAMPT (0.77) NAMPTROCK2ROCK1PRMT3
SCHEMBL31037269 0.79 ROCK2 (0.46) NAMPTROCK2ROCK1RAB9APRMT3
SCHEMBL31037311 0.77 NAMPT (0.48) NAMPTROCK2ROCK1MAPTKDM4E

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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