SCHEMBL25798049

SCHEMBL25798049

Cc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1cccc(C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IL1B P01584 9/20 0.56
NLRP3 Q96P20 12/20 0.55
LRRK2 Q5S007 1/20 0.54
EGLN2 Q96KS0 1/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL25797916 0.89 NLRP3 (0.60) IL1BNLRP3LRRK2EGLN2
SCHEMBL25798048 0.87 IL1B (0.61) IL1BNLRP3
SCHEMBL25798059 0.85 NLRP3 (0.65) IL1BNLRP3
SCHEMBL25798050 0.85 NLRP3 (0.65) IL1BNLRP3
SCHEMBL25797982 0.85 IL1B (0.70) IL1BNLRP3
SCHEMBL26773537 0.83 NLRP3 (0.78) IL1BNLRP3
SCHEMBL25798060 0.83 IL1B (0.56) IL1BNLRP3
SCHEMBL25798054 0.83 IL1B (0.56) IL1BNLRP3
SCHEMBL25797980 0.83 IL1B (0.56) IL1BNLRP3
SCHEMBL25797819 0.81 NLRP3 (0.65) 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