SCHEMBL31037281

SCHEMBL31037281

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 5/20 0.48
▸ ROCK1 Q13464 2/20 0.48
▸ PRMT3 O60678 1/20 0.46
▸ NAMPT P43490 4/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ LYN P07948 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ FLT1 P17948 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
SCHEMBL31037325 0.91 ROCK2 (0.46) ROCK2ROCK1PRMT3NAMPTL3MBTL1
SCHEMBL31037269 0.91 ROCK2 (0.46) ROCK2ROCK1PRMT3NAMPTL3MBTL1
SCHEMBL31037302 0.91 NAMPT (0.51) ROCK2ROCK1PRMT3NAMPTL3MBTL1
SCHEMBL31037447 0.90 ROCK2 (0.49) ROCK2ROCK1PRMT3NAMPTL3MBTL1
SCHEMBL31037299 0.88 NAMPT (0.53) ROCK2ROCK1PRMT3NAMPTL3MBTL1
SCHEMBL31037486 0.84 ROCK2 (0.54) ROCK2ROCK1PRMT3NAMPTL3MBTL1
SCHEMBL31037468 0.84 LMNA (0.44) ROCK2ROCK1PRMT3NAMPTL3MBTL1
SCHEMBL31744293 0.84 NAMPT (0.46) ROCK2ROCK1PRMT3NAMPT
SCHEMBL31037522 0.82 NAMPT (0.49) ROCK2ROCK1PRMT3NAMPTRAB9A
SCHEMBL31037293 0.81 LMNA (0.48) PRMT3NAMPTL3MBTL1SMN1; SMN2RAB9A

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
Send feedback