SCHEMBL25444498

SCHEMBL25444498

CCCOCCCN(C)C(=O)c1ccc(Nc2nccn3c(-c4ccc(OC)c(F)c4)cnc23)cc1C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 9/20 0.40
▸ MAPKAPK5 Q8IW41 1/20 0.40
▸ SYK P43405 4/20 0.38
▸ PTK6 Q13882 3/20 0.38
▸ AURKB Q96GD4 2/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ AXL P30530 1/20 0.34
▸ AURKA O14965 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 0.91 MAPKAPK5 (0.41) TTKMAPKAPK5SYKPTK6AURKB
SCHEMBL25170323 0.90 MAPKAPK5 (0.40) TTKMAPKAPK5SYKPTK6AURKB
SCHEMBL22122913 0.90 MAPKAPK5 (0.41) TTKMAPKAPK5SYKPTK6AURKB
SCHEMBL22142784 0.90 MAPKAPK5 (0.41) TTKMAPKAPK5SYKPTK6AURKB
SCHEMBL30171674 0.90 MAPKAPK5 (0.41) TTKMAPKAPK5SYKPTK6AURKB
SCHEMBL22124730 0.89 TTK (0.40) TTKMAPKAPK5SYKPTK6AURKB
SCHEMBL22123692 0.89 MAPKAPK5 (0.43) TTKMAPKAPK5SYKPTK6AURKB
SCHEMBL25450721 0.89 MAPKAPK5 (0.40) TTKMAPKAPK5SYKPTK6AURKB
Hydrochloric Acid SCHEMBL25176395 0.89 MAPKAPK5 (0.40) TTKMAPKAPK5SYKPTK6AURKB
Hydrochloric Acid SCHEMBL30386094 0.89 MAPKAPK5 (0.40) TTKMAPKAPK5SYKPTK6AURKB

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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