SCHEMBL24112481

SCHEMBL24112481

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NC5CCC(NC(=O)C[N+](C)(C)C)CC5)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 17/20 0.48
▸ AXL P30530 2/20 0.40
▸ PTK2 Q05397 1/20 0.39

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
Hydrochloric Acid SCHEMBL25170303 1.00 TTK (0.48) TTKAXLPTK2
Hydrochloric Acid SCHEMBL25170305 1.00 TTK (0.48) TTKAXLPTK2
SCHEMBL25450817 1.00 TTK (0.48) TTKAXLPTK2
Hydrochloric Acid SCHEMBL25176133 1.00 TTK (0.48) TTKAXLPTK2
Hydrochloric Acid SCHEMBL25169297 0.96 TTK (0.43) TTKAXLPTK2
SCHEMBL25450828 0.96 TTK (0.43) TTKAXLPTK2
Hydrochloric Acid SCHEMBL25169296 0.96 TTK (0.43) TTKAXLPTK2
SCHEMBL25450847 0.93 TTK (0.41) TTKAXL
Hydrochloric Acid SCHEMBL25169293 0.91 TTK (0.45) TTKAXLPTK2
SCHEMBL24112561 0.91 TTK (0.45) TTKAXLPTK2

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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