SCHEMBL29721114

SCHEMBL29721114

CC(C)C(=O)N1CCC(c2cc(-c3ccc(NC(=O)c4cn(C5CC5)c(C#N)c(-c5ccc(F)cc5)c4=O)cc3)c3c(N)ncnn23)CC1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 13/20 0.73
▸ TYRO3 Q06418 9/20 0.67
▸ AXL P30530 1/20 0.61

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
SCHEMBL29720912 0.93 TYRO3 (0.68) MERTKTYRO3AXL
SCHEMBL29720695 0.86 TYRO3 (0.71) MERTKTYRO3AXL
SCHEMBL19377873 0.84 MERTK (0.78) MERTKTYRO3AXL
SCHEMBL29720855 0.84 TYRO3 (0.71) MERTKTYRO3AXL
SCHEMBL19377793 0.84 MERTK (1.00) MERTKTYRO3AXL
SCHEMBL29720858 0.84 TYRO3 (0.68) MERTKTYRO3AXL
SCHEMBL29720718 0.84 AXL (0.52) MERTKTYRO3AXL
SCHEMBL28341757 0.84 AXL (0.52) MERTKTYRO3AXL
SCHEMBL19377688 0.83 MERTK (0.85) MERTKTYRO3AXL
SCHEMBL30874313 0.83 MERTK (0.85) MERTKTYRO3AXL

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
CN-110627796-B Nitrogenous heterocyclic derivative and application thereof in medicine 北京越之康泰生物医药科技有限公司 2022-07-12 — — CN disclosed
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