SCHEMBL24112582

SCHEMBL24112582

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NC5CCN(C(=O)C[N+](C)(C)C)C5)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 11/20 0.43
▸ AXL P30530 4/20 0.37
▸ TYRO3 Q06418 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ PTK6 Q13882 1/20 0.36
▸ SYK P43405 2/20 0.35
▸ PTK2 Q05397 1/20 0.35

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 SCHEMBL25170371 1.00 TTK (0.43) TTKAXLTYRO3MERTKPTK6
Hydrochloric Acid SCHEMBL25170369 1.00 TTK (0.43) TTKAXLTYRO3MERTKPTK6
SCHEMBL24112410 1.00 TTK (0.43) TTKAXLTYRO3MERTKPTK6
SCHEMBL25450812 1.00 TTK (0.43) TTKAXLTYRO3MERTKPTK6
Hydrochloric Acid SCHEMBL25173476 1.00 TTK (0.43) TTKAXLTYRO3MERTKPTK6
Hydrochloric Acid SCHEMBL25173632 0.96 TTK (0.42) TTKAXLSYK
SCHEMBL24112464 0.96 TTK (0.42) TTKAXLSYK
SCHEMBL24112561 0.96 TTK (0.45) TTKAXLTYRO3MERTKPTK2
Hydrochloric Acid SCHEMBL25169293 0.96 TTK (0.45) TTKAXLTYRO3MERTKPTK2
SCHEMBL24112584 0.92 TTK (0.43) TTKAXLPTK6SYKPTK2

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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