SCHEMBL25798052

SCHEMBL25798052

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

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IL1B P01584 13/20 0.71
NLRP3 Q96P20 8/20 0.71
PIM1 P11309 3/20 0.52

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
SCHEMBL25298002 0.89 IL1B (0.75) IL1BNLRP3
SCHEMBL30519498 0.89 IL1B (0.75) IL1BNLRP3
SCHEMBL25798438 0.89 IL1B (0.75) IL1BNLRP3
SCHEMBL25298003 0.89 IL1B (0.75) IL1BNLRP3
SCHEMBL25798048 0.87 IL1B (0.61) IL1BNLRP3
SCHEMBL25798050 0.87 NLRP3 (0.65) IL1BNLRP3PIM1
SCHEMBL25797809 0.86 IL1B (0.87) IL1BNLRP3
SCHEMBL25798892 0.86 IL1B (0.71) IL1BNLRP3
SCHEMBL25798058 0.85 IL1B (0.73) IL1BNLRP3PIM1
SCHEMBL25798059 0.85 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