SCHEMBL25398388

SCHEMBL25398388

COc1ccc(CN2CCc3c(Nc4cccn(-c5cc(C)n(C)n5)c4=O)nn4c(C(=O)O)cnc4c32)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 18/20 0.49
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ P2RX7 Q99572 1/20 0.33

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
SCHEMBL25399745 0.93 TYK2 (0.47) TYK2ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL25398046 0.89 TYK2 (0.55) TYK2
SCHEMBL25401025 0.89 TYK2 (0.64) TYK2
SCHEMBL25395409 0.88 TYK2 (0.53) TYK2CYP2C19
SCHEMBL25397411 0.88 TYK2 (0.53) TYK2CYP2C19
SCHEMBL16794672 0.77 TYK2 (0.46) TYK2ALDH1A1
SCHEMBL24263411 0.71 TYK2 (0.57) TYK2
SCHEMBL25398581 0.71 EGLN1 (0.32) ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL16812530 0.71 TYK2 (0.44) TYK2ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL25400219 0.71 CACNA1H (0.30) ALDH1A1CYP1A2CYP2C19SMN1; SMN2

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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