SCHEMBL25798527

SCHEMBL25798527

Cc1cc(N[C@@H]2CCCN(C(C)C)C2)nnc1-c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 8/20 0.60
IL1B P01584 6/20 0.51
MAPK14 Q16539 5/20 0.40
KAT2B Q92831 1/20 0.39
ALOX5 P09917 1/20 0.38

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
SCHEMBL25798660 0.89 IL1B (0.56) NLRP3IL1BKAT2B
SCHEMBL25798530 0.89 IL1B (0.60) NLRP3IL1B
SCHEMBL25797697 0.89 IL1B (0.60) NLRP3IL1B
SCHEMBL26772228 0.86 NLRP3 (0.66) NLRP3IL1B
SCHEMBL25797812 0.86 NLRP3 (0.78) NLRP3IL1B
SCHEMBL25798452 0.84 NLRP3 (0.61) NLRP3IL1BMAPK14ALOX5
SCHEMBL25798431 0.83 NLRP3 (0.58) NLRP3IL1B
SCHEMBL25798433 0.83 NLRP3 (0.60) NLRP3IL1B
SCHEMBL25798970 0.83 NLRP3 (0.46) NLRP3IL1BMAPK14
SCHEMBL25798896 0.81 NLRP3 (0.68) NLRP3IL1BMAPK14

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