SCHEMBL28686124

SCHEMBL28686124

Fc1cc(F)cc(Oc2ccc3[nH]nc(C#Cc4ccccn4)c3c2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.59
NTRK3 Q16288 6/20 0.59
NTRK2 Q16620 6/20 0.59
GRM5 P41594 2/20 0.37
TTK P33981 1/20 0.36
LRRK2 Q5S007 1/20 0.36
HAO1 Q9UJM8 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRM4 Q14833 1/20 0.34

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
SCHEMBL28686131 0.83 NTRK1 (0.46) NTRK1NTRK3NTRK2GRM4
SCHEMBL28708451 0.81 NTRK1 (0.49) NTRK1NTRK3NTRK2GRM5LRRK2
SCHEMBL28697267 0.80 NTRK1 (0.64) NTRK1NTRK3NTRK2
SCHEMBL28700912 0.80 NTRK1 (0.59) NTRK1NTRK3NTRK2GRM5GRM4
SCHEMBL28684850 0.78 NTRK1 (0.38) NTRK1NTRK3NTRK2GRM5
SCHEMBL28686122 0.78 NTRK1 (0.60) NTRK1NTRK3NTRK2LRRK2GRM4
SCHEMBL28698672 0.76 NTRK1 (0.53) NTRK1NTRK3NTRK2GRM5
SCHEMBL12269783 0.75 LRRK2 (0.49) GRM5TTKLRRK2
SCHEMBL28690954 0.75 NTRK1 (0.54) NTRK1NTRK3NTRK2
SCHEMBL28690940 0.74 NTRK3 (1.00) NTRK1NTRK3NTRK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114072387-B Indazole compound, pharmaceutical composition and application thereof 暨南大学 2024-03-08 CN disclosed
CN-114072387-A Indazole compound and medicinal composition and application thereof 暨南大学 2022-02-18 CN disclosed