SCHEMBL25399745

SCHEMBL25399745

CCOC(=O)c1cnc2c3c(c(Nc4cccn(-c5cc(C)n(C)n5)c4=O)nn12)CCN3Cc1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 14/20 0.47
▸ P2RY12 Q9H244 1/20 0.34
▸ 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
▸ MAPT P10636 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34

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
SCHEMBL25398388 0.93 TYK2 (0.49) TYK2ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL25401025 0.88 TYK2 (0.64) TYK2
SCHEMBL25398046 0.88 TYK2 (0.55) TYK2
SCHEMBL25397411 0.86 TYK2 (0.53) TYK2CYP2C19
SCHEMBL25395409 0.86 TYK2 (0.53) TYK2CYP2C19
SCHEMBL16812530 0.79 TYK2 (0.44) TYK2ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL25399069 0.78 TUBB4A (0.43) P2RY12ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL25396541 0.72 TUBB4A (0.32) P2RY12ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL31245746 0.71 TYK2 (0.41) TYK2
SCHEMBL24263411 0.70 TYK2 (0.57) 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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