SCHEMBL29089482

SCHEMBL29089482

COc1cc(-c2cc(Cl)ccc2-n2cc(I)nn2)c(OC)cn1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 19/20 0.39
▸ KLKB1 P03952 18/20 0.39
▸ NR1I2 O75469 1/20 0.37
▸ CYP3A4 P08684 3/20 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
SCHEMBL30656519 1.00 F11 (0.39) F11KLKB1NR1I2CYP3A4
SCHEMBL21357425 0.89 F11 (0.48) F11KLKB1CYP3A4
SCHEMBL29479366 0.89 F11 (0.48) F11KLKB1CYP3A4
SCHEMBL29697761 0.84 F11 (0.49) F11KLKB1NR1I2CYP3A4
SCHEMBL21357595 0.84 F11 (0.49) F11KLKB1NR1I2CYP3A4
SCHEMBL24633281 0.84 F11 (0.50) F11KLKB1CYP3A4
SCHEMBL28514407 0.84 F11 (0.43) F11KLKB1CYP3A4
SCHEMBL28509142 0.82 F11 (0.46) F11KLKB1CYP3A4
SCHEMBL29089479 0.81 FLT3 (0.48) F11KLKB1
SCHEMBL30656460 0.81 FLT3 (0.48) F11KLKB1

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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