SCHEMBL31031244

SCHEMBL31031244

CCc1ccc2c(c1)nc1cc(N3CC(F)C3)ccn12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.34
HRH4 Q9H3N8 3/20 0.34
HRH3 Q9Y5N1 3/20 0.34
TRPC5 Q9UL62 13/20 0.33
GRIN2B Q13224 1/20 0.32
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
TRPC4 Q9UBN4 1/20 0.31

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
SCHEMBL31031232 0.88 KCNH2 (0.34) KCNH2HRH4HRH3TRPC5TRPC4
SCHEMBL31031221 0.84 HTR3E (0.40)
SCHEMBL31031217 0.84 HTR3E (0.40)
SCHEMBL31031228 0.81 ALDH1A1 (0.32)
SCHEMBL31031231 0.81 KDM4E (0.32)
SCHEMBL31031261 0.80
SCHEMBL31031220 0.79
SCHEMBL31031224 0.79 KDM4E (0.40)
SCHEMBL31031256 0.77 KDM4E (0.37)
SCHEMBL20515380 0.77 IKBKB (0.40) HRH4HRH3

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
EP-4658651-A1 NOVEL COMPOUNDS FOR TAU IMAGING Eli Lilly and Company (US) 2025-12-10 EP disclosed
WO-2024163546-A1 NOVEL COMPOUNDS FOR TAU IMAGING ELI LILLY AND COMPANY (US) 2024-08-08 WO disclosed