SCHEMBL29089465

SCHEMBL29089465

COc1c[nH]c(=O)cc1-c1cc(Cl)ccc1-n1cc(-c2ccccn2)nn1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 4/20 0.47
▸ GSK3B P49841 1/20 0.45
▸ F11 P03951 15/20 0.42
▸ KLKB1 P03952 15/20 0.42
▸ CYP3A4 P08684 1/20 0.37
▸ MIF P14174 1/20 0.37

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
SCHEMBL30656500 1.00 FLT3 (0.47) FLT3GSK3BF11KLKB1CYP3A4
SCHEMBL29479321 0.84 F11 (0.49) F11KLKB1CYP3A4
SCHEMBL21357358 0.84 F11 (0.49) F11KLKB1CYP3A4
SCHEMBL30656460 0.83 FLT3 (0.48) FLT3GSK3BF11KLKB1MIF
SCHEMBL29089479 0.83 FLT3 (0.48) FLT3GSK3BF11KLKB1MIF
SCHEMBL30656621 0.82 BRAF (0.39) F11KLKB1CYP3A4
SCHEMBL29089496 0.82 BRAF (0.39) F11KLKB1CYP3A4
SCHEMBL29089481 0.82 F11 (0.40) F11KLKB1CYP3A4
SCHEMBL30656620 0.82 F11 (0.40) F11KLKB1CYP3A4
SCHEMBL24633283 0.80 F11 (0.53) F11KLKB1CYP3A4

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-116903585-A Oxo-pyridine derivative and application thereof in medicine 天津药物研究院有限公司 2023-10-20 — — CN disclosed
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