SCHEMBL25446267

SCHEMBL25446267

C=CCCCN(CCN)CCOCCN(C)C(=O)c1ccc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)cc1C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 12/20 0.34
▸ PTK6 Q13882 1/20 0.34
▸ MAPKAPK5 Q8IW41 2/20 0.33
▸ CDK2 P24941 1/20 0.31
▸ AURKA O14965 1/20 0.31

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
SCHEMBL22125090 0.90 TTK (0.39) TTKPTK6MAPKAPK5CDK2AURKA
SCHEMBL22123436 0.86 TTK (0.40) TTKPTK6MAPKAPK5CDK2AURKA
SCHEMBL30171633 0.83 TTK (0.42) TTKPTK6MAPKAPK5CDK2AURKA
SCHEMBL22139078 0.83 TTK (0.42) TTKPTK6MAPKAPK5CDK2AURKA
SCHEMBL22124824 0.82 TTK (0.39) TTKPTK6MAPKAPK5AURKA
SCHEMBL22124838 0.81 PTK6 (0.44) TTKPTK6MAPKAPK5AURKA
Hydrochloric Acid SCHEMBL30171881 0.81 TTK (0.39) TTKPTK6MAPKAPK5AURKA
SCHEMBL24916602 0.80 PTK6 (0.46) TTKPTK6MAPKAPK5
SCHEMBL22124785 0.80 PTK6 (0.42) TTKPTK6MAPKAPK5AURKA
SCHEMBL22123796 0.79 TTK (0.40) TTKPTK6MAPKAPK5AURKA

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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