SCHEMBL24575339

SCHEMBL24575339

Cc1c(Cl)nnc(N[C@H]2C[C@@](C)(O)C2)c1C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IL1B P01584 8/20 0.41
TNF P01375 2/20 0.41
NLRP3 Q96P20 2/20 0.36
PDE10A Q9Y233 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL30108846 0.78 NLRP3 (0.51) IL1BTNFNLRP3
SCHEMBL28934678 0.78 NLRP3 (0.51) IL1BTNFNLRP3
SCHEMBL25857019 0.78 NLRP3 (0.51) IL1BTNFNLRP3
SCHEMBL24575593 0.78 NLRP3 (0.51) IL1BTNFNLRP3
SCHEMBL28934454 0.77 MAPT (0.48) IL1BTNFNLRP3
SCHEMBL24574823 0.77 MAPT (0.48) IL1BTNFNLRP3
SCHEMBL31681939 0.77 IL1B (0.38) IL1BTNFNLRP3
SCHEMBL25861226 0.77 MAPT (0.48) IL1BTNFNLRP3
SCHEMBL22655131 0.76 IL1B (0.53) IL1BTNFNLRP3IRAK4
SCHEMBL22655130 0.76 IL1B (0.53) IL1BTNFNLRP3IRAK4

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