SCHEMBL29975632

SCHEMBL29975632

Cc1nc(NC2CCCC2)nnc1-c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 10/20 0.55
KCNH2 Q12809 1/20 0.55
IL1B P01584 8/20 0.54
TNF P01375 1/20 0.50
GABBR2 O75899 3/20 0.42
GABBR1 Q9UBS5 3/20 0.42
AGER Q15109 1/20 0.40

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
SCHEMBL24696179 0.99 NLRP3 (0.54) NLRP3KCNH2IL1BTNFGABBR2
SCHEMBL29326630 0.92 NLRP3 (0.52) NLRP3KCNH2IL1BTNFGABBR2
SCHEMBL29326441 0.91 NLRP3 (0.53) NLRP3KCNH2IL1BTNF
SCHEMBL30375405 0.90 IL1B (0.52) NLRP3KCNH2IL1BTNF
SCHEMBL26092873 0.90 IL1B (0.52) NLRP3KCNH2IL1BTNF
SCHEMBL30684741 0.90 IL1B (0.52) NLRP3KCNH2IL1BTNF
SCHEMBL27182193 0.90 IL1B (0.52) NLRP3KCNH2IL1BTNF
SCHEMBL29155909 0.89 IL1B (0.53) NLRP3KCNH2IL1BTNF
SCHEMBL30054441 0.89 IL1B (0.53) NLRP3KCNH2IL1BTNF
SCHEMBL30684869 0.89 IL1B (0.53) NLRP3KCNH2IL1BTNF

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
WO-2022230912-A1 SUBSTITUTED TRIAZINE COMPOUND アステラス製薬株式会社 2022-11-03 WO disclosed