SCHEMBL30193289

SCHEMBL30193289

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)CCN5CCOC(CN(C)C(=O)OC(C)(C)C)C5)c(C)c4)nccn23)cc1F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 2/20 0.39
▸ TTK P33981 7/20 0.37
▸ PTK6 Q13882 2/20 0.35
▸ EPHA2 P29317 7/20 0.34
▸ EPHB4 P54760 5/20 0.34
▸ KDR P35968 5/20 0.34
▸ ERBB2 P04626 2/20 0.34
▸ EGFR P00533 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ SYK P43405 1/20 0.32

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
SCHEMBL22123736 1.00 MAPKAPK5 (0.39) MAPKAPK5TTKPTK6EPHA2EPHB4
SCHEMBL22123261 0.93 MAPKAPK5 (0.42) MAPKAPK5TTKPTK6EPHA2EPHB4
SCHEMBL30183474 0.93 MAPKAPK5 (0.42) MAPKAPK5TTKPTK6EPHA2EPHB4
SCHEMBL22124008 0.91 MAPKAPK5 (0.38) MAPKAPK5TTKPTK6EPHA2EPHB4
SCHEMBL22122945 0.90 MAPKAPK5 (0.41) MAPKAPK5TTKPTK6EPHA2EPHB4
SCHEMBL30403346 0.90 MAPKAPK5 (0.41) MAPKAPK5TTKPTK6EPHA2EPHB4
Hydrochloric Acid SCHEMBL22123929 0.90 MAPKAPK5 (0.41) MAPKAPK5TTKPTK6EPHA2EPHB4
SCHEMBL22124850 0.86 MAPKAPK5 (0.41) MAPKAPK5TTKPTK6EPHA2EPHB4
SCHEMBL22124394 0.84 MAPKAPK5 (0.43) MAPKAPK5TTKPTK6KDRAURKB
SCHEMBL30172085 0.84 MAPKAPK5 (0.43) MAPKAPK5TTKPTK6KDRAURKB

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-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP disclosed
EP-3898629-B1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
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