SCHEMBL25798050

SCHEMBL25798050

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

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 11/20 0.65
IL1B P01584 13/20 0.58
PIM1 P11309 1/20 0.44

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
SCHEMBL25798048 0.90 IL1B (0.61) NLRP3IL1B
SCHEMBL25797812 0.88 NLRP3 (0.78) NLRP3IL1B
SCHEMBL25798059 0.88 NLRP3 (0.65) NLRP3IL1B
SCHEMBL25797982 0.87 IL1B (0.70) NLRP3IL1B
SCHEMBL25798052 0.87 IL1B (0.71) NLRP3IL1BPIM1
SCHEMBL25798116 0.86 NLRP3 (0.66) NLRP3IL1B
SCHEMBL25798128 0.86 NLRP3 (0.66) NLRP3IL1B
SCHEMBL25797980 0.85 IL1B (0.56) NLRP3IL1B
SCHEMBL25798054 0.85 IL1B (0.56) NLRP3IL1BPIM1
SCHEMBL25797967 0.84 NLRP3 (0.64) NLRP3IL1B

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