SCHEMBL24112584

SCHEMBL24112584

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N[C@H]5CCN(C(=O)CN(C)C)C5)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 11/20 0.43
▸ AXL P30530 4/20 0.37
▸ PTK6 Q13882 1/20 0.36
▸ SYK P43405 2/20 0.36
▸ PTK2 Q05397 1/20 0.36

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
SCHEMBL24112411 1.00 TTK (0.43) TTKAXLPTK6SYKPTK2
SCHEMBL24112472 0.97 TTK (0.42) TTKAXLSYK
Hydrochloric Acid SCHEMBL25170369 0.92 TTK (0.43) TTKAXLPTK6SYKPTK2
SCHEMBL24112582 0.92 TTK (0.43) TTKAXLPTK6SYKPTK2
Hydrochloric Acid SCHEMBL25170371 0.92 TTK (0.43) TTKAXLPTK6SYKPTK2
SCHEMBL25450812 0.92 TTK (0.43) TTKAXLPTK6SYKPTK2
Hydrochloric Acid SCHEMBL25173476 0.92 TTK (0.43) TTKAXLPTK6SYKPTK2
SCHEMBL24112410 0.92 TTK (0.43) TTKAXLPTK6SYKPTK2
SCHEMBL30385494 0.89 USP30 (0.45) TTKPTK2
SCHEMBL30385782 0.89 USP30 (0.45) TTKPTK2

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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