SCHEMBL24112118

SCHEMBL24112118

CCC(CCN(C)C)CCN(C)C(=O)c1ccc(Nc2nccn3c(-c4ccc(OCC#CCN)cc4)cnc23)cc1C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 16/20 0.37
▸ PTK6 Q13882 1/20 0.36
▸ MAPKAPK5 Q8IW41 2/20 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
SCHEMBL24112322 0.88 TTK (0.39) TTKPTK6MAPKAPK5AURKA
SCHEMBL22123005 0.85 TTK (0.39) TTKPTK6MAPKAPK5AURKA
SCHEMBL25451059 0.83 TTK (0.39) TTKPTK6MAPKAPK5AURKA
SCHEMBL24112397 0.82 TTK (0.38) TTKPTK6MAPKAPK5AURKA
Formic Acid SCHEMBL25176000 0.81 TTK (0.37) TTKPTK6MAPKAPK5AURKA
SCHEMBL22123442 0.81 TTK (0.42) TTKPTK6MAPKAPK5AURKA
SCHEMBL22122883 0.80 TTK (0.42) TTKPTK6MAPKAPK5AURKA
SCHEMBL22139078 0.79 TTK (0.42) TTKPTK6MAPKAPK5AURKA
SCHEMBL30171633 0.79 TTK (0.42) TTKPTK6MAPKAPK5AURKA
SCHEMBL24112549 0.79 PTK6 (0.36) 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
WO-2021249896-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-16 — — WO disclosed
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