SCHEMBL25395884

SCHEMBL25395884

CO[C@H]1C[C@H]1NC(=O)c1cnc2c3c(c(NC4=CC=CN(c5ccccn5)C4O)nn12)CCN3

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 8/20 0.37
▸ JAK1 P23458 2/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 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
SCHEMBL25399736 0.95 TYK2 (0.37) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL25400339 0.95 TYK2 (0.37) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL25401077 0.84 TYK2 (0.35) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL25399309 0.82 TYK2 (0.35) TYK2
SCHEMBL25398442 0.82 TYK2 (0.35) TYK2
SCHEMBL25396660 0.77 TYK2 (0.34) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL25399521 0.77 TYK2 (0.34) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL25400069 0.76 TYK2 (0.41) TYK2
SCHEMBL25402457 0.72 TYK2 (0.59) TYK2
SCHEMBL25400945 0.67 TYK2 (0.56) TYK2JAK1JAK2CYP3A4CYP2C19

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-2023169336-A1 PYRIDAZINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 成都科岭源医药技术有限公司 2023-09-14 — — WO disclosed
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