SCHEMBL29227903

SCHEMBL29227903

COc1cc(-c2cc(Cl)ccc2-n2cnnn2)c(F)cn1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 15/20 0.46
▸ KLKB1 P03952 12/20 0.46
▸ KLK1 P06870 2/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ F9 P00740 2/20 0.41

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
SCHEMBL30995012 1.00 F11 (0.46) F11KLKB1KLK1KMT2AF9
SCHEMBL29022165 0.87 F11 (0.49) F11KLKB1KMT2A
SCHEMBL30453237 0.87 F11 (0.49) F11KLKB1KMT2A
SCHEMBL24633462 0.82 F11 (0.46) F11KLKB1
SCHEMBL16971478 0.79 KMT2A (0.43) F11KLKB1KLK1KMT2A
SCHEMBL29227939 0.79 F11 (0.45) F11KLKB1KLK1KMT2AF9
SCHEMBL30995053 0.79 F11 (0.45) F11KLKB1KLK1KMT2AF9
SCHEMBL30995017 0.78 F11 (0.48) F11KLKB1
SCHEMBL30995015 0.78 F11 (0.48) F11KLKB1
SCHEMBL29227916 0.78 F11 (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-118126046-A Substituted macrocyclic compound, and preparation method and application thereof 深圳信立泰药业股份有限公司 2024-06-04 — — CN disclosed
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