SCHEMBL25398442

SCHEMBL25398442

COc1ccc(CN2CCc3c(NC4=CC=CN(c5ccccn5)C4O)nn4c(C(=O)N[C@@H]5C[C@@H]5OC)cnc4c32)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 4/20 0.35
▸ CHRM1 P11229 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL25399309 1.00 TYK2 (0.35) TYK2CHRM1SMN1; SMN2HPGDNPSR1
SCHEMBL25396660 0.95 TYK2 (0.34) TYK2CHRM1SMN1; SMN2HPGDNPSR1
SCHEMBL25399521 0.95 TYK2 (0.34) TYK2CHRM1SMN1; SMN2HPGDNPSR1
SCHEMBL25400069 0.94 TYK2 (0.41) TYK2CHRM1SMN1; SMN2HPGDNPSR1
SCHEMBL25400810 0.85 TYK2 (0.34) TYK2
SCHEMBL25395884 0.82 TYK2 (0.37) TYK2
SCHEMBL25398581 0.81 EGLN1 (0.32) SMN1; SMN2
SCHEMBL25396541 0.80 TUBB4A (0.32) SMN1; SMN2NPSR1L3MBTL1
SCHEMBL25400219 0.79 CACNA1H (0.30) SMN1; SMN2
SCHEMBL25400339 0.77 TYK2 (0.37) TYK2

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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