SCHEMBL25798271

SCHEMBL25798271

Cc1cccc(-c2cc(C)c(N[C@@H]3CCCN(C)C3)nn2)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IL1B P01584 12/20 0.58
NLRP3 Q96P20 7/20 0.48
KAT2B Q92831 2/20 0.47
LRRK2 Q5S007 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL25798112 0.89 IL1B (0.59) IL1BNLRP3KAT2BLRRK2
SCHEMBL25798180 0.89 IL1B (0.56) IL1BNLRP3KAT2BLRRK2ADORA3
SCHEMBL25798263 0.87 IL1B (0.61) IL1BNLRP3KAT2B
SCHEMBL25798183 0.87 IL1B (0.55) IL1BNLRP3KAT2BLRRK2
SCHEMBL25798188 0.87 IL1B (0.55) IL1BNLRP3KAT2BLRRK2
SCHEMBL25798057 0.87 IL1B (0.55) IL1BNLRP3KAT2BLRRK2
SCHEMBL25798056 0.86 IL1B (0.72) IL1BNLRP3
SCHEMBL25798051 0.86 LRRK2 (0.61) IL1BNLRP3KAT2BLRRK2
SCHEMBL25798375 0.83 IL1B (0.60) IL1BNLRP3KAT2B
SCHEMBL25798524 0.83 IL1B (0.59) IL1BNLRP3

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-2023129987-A1 PYRIDAZINE DERIVATIVES AS MODULATORS OF NLRP3 INFLAMMASOME AND RELATED METHODS Neumora Therapeutics, Inc. (US) 2023-07-06 WO disclosed