SCHEMBL30403346

SCHEMBL30403346

CNCC1CN(CCN(C)C(=O)c2ccc(Nc3nccn4c(-c5ccc(OC)c(F)c5)cnc34)cc2C)CCO1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 2/20 0.41
▸ TTK P33981 7/20 0.38
▸ PTK6 Q13882 2/20 0.36
▸ EPHA2 P29317 5/20 0.35
▸ KDR P35968 5/20 0.35
▸ EPHB4 P54760 4/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ AURKA O14965 1/20 0.33

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
SCHEMBL22122945 1.00 MAPKAPK5 (0.41) MAPKAPK5TTKPTK6EPHA2KDR
Hydrochloric Acid SCHEMBL22123929 0.99 MAPKAPK5 (0.41) MAPKAPK5TTKPTK6EPHA2KDR
SCHEMBL22123261 0.94 MAPKAPK5 (0.42) MAPKAPK5TTKPTK6EPHA2KDR
SCHEMBL30183474 0.94 MAPKAPK5 (0.42) MAPKAPK5TTKPTK6EPHA2KDR
SCHEMBL25014195 0.92 MAPKAPK5 (0.42) MAPKAPK5TTKPTK6AURKBJAK2
SCHEMBL22123736 0.90 MAPKAPK5 (0.39) MAPKAPK5TTKPTK6EPHA2KDR
SCHEMBL30193289 0.90 MAPKAPK5 (0.39) MAPKAPK5TTKPTK6EPHA2KDR
SCHEMBL22124850 0.89 MAPKAPK5 (0.41) MAPKAPK5TTKPTK6EPHA2KDR
SCHEMBL22124394 0.87 MAPKAPK5 (0.43) MAPKAPK5TTKPTK6KDRSYK
SCHEMBL30172085 0.87 MAPKAPK5 (0.43) MAPKAPK5TTKPTK6KDRSYK

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-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP disclosed
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