SCHEMBL30612388

SCHEMBL30612388

CNc1ccnn2c(C(=O)N[C@@H]3C[C@H]4CCO[C@H]43)cnc12

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 18/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ TTK P33981 1/20 0.36
▸ HSD11B1 P28845 1/20 0.35

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
SCHEMBL31218678 0.83 TYK2 (0.43) TYK2PDE4DTTKHSD11B1
SCHEMBL31218783 0.82 TYK2 (0.53) TYK2PDE4D
SCHEMBL31218847 0.80 TYK2 (0.42) TYK2PDE4D
SCHEMBL31218735 0.77 TYK2 (0.48) TYK2PDE4DTTK
SCHEMBL29754344 0.75 TYK2 (0.77) TYK2
SCHEMBL29754325 0.73 TYK2 (0.62) TYK2
SCHEMBL29754457 0.73 TYK2 (0.64) TYK2PDE4D
SCHEMBL29754422 0.73 TYK2 (0.62) TYK2
SCHEMBL29754370 0.73 TYK2 (0.62) TYK2
SCHEMBL30612375 0.71 KDM4C (0.41) TYK2PDE4DTTK

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
CN-117043164-A Imidazopyridazine or pyrazolopyrimidine compounds and compositions 安锐生物医药科技(广州)有限公司 2023-11-10 — — CN disclosed
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