SCHEMBL29388124

SCHEMBL29388124

Fc1cccc(Cc2ccc3[nH]nc(C#Cc4ccccn4)c3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 14/20 0.54
NTRK3 Q16288 4/20 0.41
NTRK2 Q16620 4/20 0.41
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CDK2 P24941 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL28690954 1.00 NTRK1 (0.54) NTRK1NTRK3NTRK2EGFRERBB2
SCHEMBL28697267 0.92 NTRK1 (0.64) NTRK1NTRK3NTRK2
SCHEMBL28698672 0.91 NTRK1 (0.53) NTRK1NTRK3NTRK2
SCHEMBL28700935 0.90 NTRK1 (0.47) NTRK1NTRK3NTRK2CDK2
SCHEMBL29390713 0.89 NTRK1 (0.50) NTRK1NTRK3NTRK2
SCHEMBL28700924 0.89 NTRK1 (0.50) NTRK1NTRK3NTRK2
SCHEMBL29387485 0.87 NTRK1 (0.51) NTRK1NTRK3NTRK2
SCHEMBL29387516 0.87 NTRK1 (0.43) NTRK1NTRK3NTRK2CDK1CDK4
SCHEMBL29390863 0.87 NTRK1 (0.43) NTRK1CDK1CDK4CDK2
SCHEMBL28707109 0.87 NTRK1 (0.46) 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