SCHEMBL25446266

SCHEMBL25446266

CCN(CCOCCN(C)C(=O)c1ccc(Nc2nccn3c(-c4ccc(OC)c(F)c4)cnc23)cc1C)C1CCC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 13/20 0.40
▸ MAPKAPK5 Q8IW41 1/20 0.39
▸ PTK6 Q13882 3/20 0.38
▸ SYK P43405 2/20 0.35
▸ AURKB Q96GD4 2/20 0.35
▸ AXL P30530 1/20 0.34

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
SCHEMBL24112349 0.90 MAPKAPK5 (0.41) TTKMAPKAPK5PTK6SYKAURKB
SCHEMBL25170323 0.88 MAPKAPK5 (0.40) TTKMAPKAPK5PTK6SYKAURKB
SCHEMBL22124730 0.88 TTK (0.40) TTKMAPKAPK5PTK6SYKAURKB
SCHEMBL25444498 0.88 TTK (0.40) TTKMAPKAPK5PTK6SYKAURKB
Hydrochloric Acid SCHEMBL30386094 0.87 MAPKAPK5 (0.40) TTKMAPKAPK5PTK6SYKAURKB
Hydrochloric Acid SCHEMBL25176395 0.87 MAPKAPK5 (0.40) TTKMAPKAPK5PTK6SYKAURKB
SCHEMBL25450721 0.87 MAPKAPK5 (0.40) TTKMAPKAPK5PTK6SYKAURKB
SCHEMBL22124676 0.86 TTK (0.39) TTKMAPKAPK5PTK6SYKAURKB
SCHEMBL24917117 0.86 PTK6 (0.44) TTKMAPKAPK5PTK6SYKAURKB
SCHEMBL24916702 0.85 MAPKAPK5 (0.47) TTKMAPKAPK5PTK6AURKBAXL

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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