SCHEMBL24112462

SCHEMBL24112462

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

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 17/20 0.50
▸ AXL P30530 2/20 0.41
▸ PTK2 Q05397 1/20 0.41

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
SCHEMBL24112085 0.96 TTK (0.45) TTKAXLPTK2
SCHEMBL22123714 0.93 TTK (0.49) TTKAXLPTK2
SCHEMBL24939278 0.93 TTK (0.49) TTKAXLPTK2
SCHEMBL24940143 0.93 TTK (0.49) TTKAXLPTK2
SCHEMBL22123740 0.92 TTK (0.51) TTKAXLPTK2
SCHEMBL24939268 0.92 TTK (0.51) TTKAXLPTK2
SCHEMBL22123809 0.92 TTK (0.51) TTKAXLPTK2
SCHEMBL30187312 0.92 TTK (0.51) TTKAXLPTK2
SCHEMBL22124098 0.92 TTK (0.47) TTKAXLPTK2
SCHEMBL24940039 0.92 TTK (0.47) 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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