SCHEMBL24575326

SCHEMBL24575326

Cc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(C(F)(F)F)cc1N

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IL1B P01584 16/20 0.81
NLRP3 Q96P20 9/20 0.81
TNF P01375 1/20 0.51

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
SCHEMBL25797809 0.92 IL1B (0.87) IL1BNLRP3TNF
SCHEMBL22654851 0.89 IL1B (1.00) IL1BNLRP3TNF
SCHEMBL22654829 0.89 IL1B (1.00) IL1BNLRP3TNF
SCHEMBL25797799 0.89 IL1B (0.82) IL1BNLRP3TNF
SCHEMBL22654826 0.89 IL1B (1.00) IL1BNLRP3TNF
SCHEMBL31021458 0.88 IL1B (0.63) IL1BNLRP3TNF
SCHEMBL31021472 0.88 IL1B (0.63) IL1BNLRP3TNF
SCHEMBL29696972 0.88 IL1B (0.79) IL1BNLRP3TNF
SCHEMBL29027415 0.88 IL1B (0.79) IL1BNLRP3TNF
SCHEMBL25798820 0.88 IL1B (0.79) IL1BNLRP3TNF

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-2022135567-A1 PYRIDAZINE-CONTAINING COMPOUND AND MEDICINAL USE THEREOF 上海拓界生物医药科技有限公司 2022-06-30 WO disclosed