SCHEMBL30272874

SCHEMBL30272874

NC(=O)c1ccncc1-c1ccc(C(F)(F)F)nc1Nc1ccc2[nH]ncc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 7/20 0.47
▸ JAK3 P52333 2/20 0.42
▸ IRAK4 Q9NWZ3 2/20 0.42
▸ MKNK1 Q9BUB5 1/20 0.41
▸ KDR P35968 2/20 0.41
▸ ULK1 O75385 1/20 0.40
▸ ROCK2 O75116 6/20 0.39
▸ ROCK1 Q13464 2/20 0.39
▸ MAPKAPK2 P49137 2/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ MAPK13 O15264 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ DYRK3 O43781 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PAK4 O96013 1/20 0.39
▸ CHEK2 O96017 1/20 0.39

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
SCHEMBL18188414 0.76 NPC1 (0.52) ROCK2ROCK1DYRK3JAK2PRKD3
SCHEMBL30272857 0.76 SYK (0.46) SYKMKNK1ULK1ROCK2ROCK1
SCHEMBL29542975 0.75 MKNK1 (0.53) MKNK1KDRULK1ROCK2ROCK1
SCHEMBL18188436 0.75 MKNK1 (0.53) MKNK1KDRULK1ROCK2ROCK1
SCHEMBL18188218 0.70 ROCK2 (0.46) SYKMKNK1ROCK2ROCK1DYRK3
SCHEMBL18188230 0.70 NPC1 (0.43) MKNK1ULK1ROCK2ROCK1DYRK3
SCHEMBL2729193 0.69 SYK (0.59) SYKJAK3IRAK4MKNK1ROCK2
SCHEMBL30627079 0.69 TRPA1 (0.53) DYRK3LCKCLK2GSK3BCDK5
SCHEMBL28597254 0.69 ROCK2 (0.43) MKNK1ULK1ROCK2ROCK1RET
SCHEMBL10242647 0.69 SYK (0.67) SYKJAK3IRAK4KDREGFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4144736-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-03-08 — — EP disclosed
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