SCHEMBL29089481

SCHEMBL29089481

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

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 19/20 0.40
▸ KLKB1 P03952 18/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ NR1I2 O75469 1/20 0.38

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
SCHEMBL30656620 1.00 F11 (0.40) F11KLKB1CYP3A4NR1I2
SCHEMBL21357358 0.89 F11 (0.49) F11KLKB1CYP3A4
SCHEMBL29479321 0.89 F11 (0.49) F11KLKB1CYP3A4
SCHEMBL28514409 0.85 F11 (0.45) F11KLKB1CYP3A4
SCHEMBL21357414 0.85 F11 (0.51) F11KLKB1CYP3A4NR1I2
SCHEMBL24633283 0.85 F11 (0.53) F11KLKB1CYP3A4
SCHEMBL30656500 0.82 FLT3 (0.47) F11KLKB1CYP3A4
SCHEMBL29089465 0.82 FLT3 (0.47) F11KLKB1CYP3A4
SCHEMBL30325601 0.82 F11 (0.43) F11KLKB1CYP3A4
SCHEMBL29089496 0.81 BRAF (0.39) 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
Send feedback