SCHEMBL25398581

SCHEMBL25398581

COc1ccc(CN2CCc3c(NC4=CC=CN(c5ccc(C)cn5)C4O)nn4c(C(=O)O)cnc4c32)cc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 2/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ DRD1 P21728 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ PDE2A O00408 1/20 0.30
▸ PDE1B Q01064 2/20 0.30
▸ PDE10A Q9Y233 2/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ KEAP1 Q14145 1/20 0.30

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
SCHEMBL25396541 0.93 TUBB4A (0.32) CACNA1HDRD1ALDH1A1CYP1A2CYP2C19
SCHEMBL25400219 0.91 CACNA1H (0.30) CACNA1HALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL25400810 0.90 TYK2 (0.34) —
SCHEMBL25398442 0.81 TYK2 (0.35) SMN1; SMN2
SCHEMBL25400069 0.81 TYK2 (0.41) SMN1; SMN2
SCHEMBL25399309 0.81 TYK2 (0.35) SMN1; SMN2
SCHEMBL25396660 0.80 TYK2 (0.34) CYP2C19SMN1; SMN2
SCHEMBL25399521 0.80 TYK2 (0.34) CYP2C19SMN1; SMN2
SCHEMBL25398388 0.71 TYK2 (0.49) ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL25399069 0.68 TUBB4A (0.43) ALDH1A1CYP1A2CYP2C19SMN1; SMN2PDE1B

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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