SCHEMBL29566641

SCHEMBL29566641

CCCCCCC(CC)c1ccc2c(N)nc(N)cc2n1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 1/20 0.34
▸ TLR8 Q9NR97 14/20 0.33
▸ SCN9A Q15858 2/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.32
▸ KCNH2 Q12809 2/20 0.32

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
SCHEMBL29565542 0.78 AURKA (0.39) —
SCHEMBL22684510 0.74 MCHR1 (0.40) NR1I2TLR8KCNH2
SCHEMBL10713325 0.70 LTB4R (0.39) NR1I2
SCHEMBL13300320 0.69 TLR8 (0.45) TLR8TLR7KCNH2
SCHEMBL30749411 0.69 NR1I2 (0.36) NR1I2
SCHEMBL21095856 0.68 TLR8 (0.40) TLR8TLR7
SCHEMBL20989341 0.68 TSHR (0.43) NR1I2KCNH2
SCHEMBL24971835 0.67 MCHR1 (0.42) NR1I2TLR8KCNH2
SCHEMBL19518873 0.67 MCHR1 (0.42) NR1I2TLR8KCNH2
SCHEMBL19772965 0.66 NR1I2 (0.37) NR1I2

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-111362975-B Naphthyridine compounds as JAK kinase inhibitors 施万生物制药研发IP有限责任公司 2022-04-05 — — CN disclosed
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