SCHEMBL31544734

SCHEMBL31544734

FC(F)c1cn(-c2ccc(Cl)cc2-c2ccncc2)nn1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 16/20 0.42
▸ KLK1 P06870 2/20 0.42
▸ FLT3 P36888 2/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ KLKB1 P03952 13/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ NOTUM Q6P988 2/20 0.39

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
SCHEMBL30995002 0.82 FLT3 (0.46) F11FLT3GSK3BKLKB1NOTUM
SCHEMBL31252194 0.82 F11 (0.45) F11KLKB1CYP3A4
SCHEMBL31252350 0.79 F11 (0.42) F11KLK1KLKB1CYP3A4
SCHEMBL17302638 0.77 NOTUM (0.43) F11KLK1KLKB1CYP3A4NOTUM
SCHEMBL16983100 0.77 RXRA (0.42) F11KLKB1CYP3A4NOTUM
SCHEMBL30702184 0.77 NOTUM (0.40) F11KLK1KLKB1CYP3A4NOTUM
SCHEMBL18797499 0.77 NOTUM (0.40) F11KLK1KLKB1CYP3A4NOTUM
SCHEMBL16971450 0.75 F11 (0.40) F11KLK1KLKB1CYP3A4
SCHEMBL17661915 0.75 NOTUM (0.41) F11KLKB1CYP3A4NOTUM
SCHEMBL22567236 0.74 F11 (0.41) F11KLK1KLKB1CYP3A4

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-119894901-A Polysubstituted macrocyclic compound, and preparation method and application thereof 深圳信立泰药业股份有限公司 2025-04-25 — — CN disclosed
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