SCHEMBL24925909

SCHEMBL24925909

CC(=O)N1CCCC(Oc2nnc(-c3ccc(C(F)(F)F)cc3O)c3ccccc23)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IL1B P01584 5/20 0.43
NLRP3 Q96P20 5/20 0.43
BTK Q06187 2/20 0.40
ERN1 O75460 1/20 0.39
SMO Q99835 2/20 0.39
CYP1A2 P05177 1/20 0.38
KCNH2 Q12809 1/20 0.38
SOS1 Q07889 1/20 0.37
CHEK2 O96017 1/20 0.37
ENPP2 Q13822 2/20 0.37

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
SCHEMBL29131876 0.92 IL1B (0.42) IL1BNLRP3BTKSMOKCNH2
SCHEMBL29131878 0.92 IL1B (0.42) IL1BNLRP3BTKSMOKCNH2
SCHEMBL29131886 0.88 IL1B (0.54) IL1BNLRP3KCNH2
SCHEMBL29275818 0.88 IL1B (0.54) IL1BNLRP3KCNH2
SCHEMBL29131880 0.88 IL1B (0.54) IL1BNLRP3KCNH2
SCHEMBL28961895 0.80 IL1B (0.61) IL1BNLRP3BTKKCNH2
SCHEMBL29275955 0.80 IL1B (0.61) IL1BNLRP3BTKKCNH2
SCHEMBL28963147 0.80 HCRTR1 (0.43) IL1BNLRP3BTKSMO
SCHEMBL28963149 0.80 HCRTR1 (0.43) IL1BNLRP3BTKSMO
SCHEMBL29131965 0.79 CHEK1 (0.43) IL1BNLRP3KCNH2CHEK2

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-2023003002-A1 ANNULATED PYRIDAZINE COMPOUND アステラス製薬株式会社 2023-01-26 WO disclosed