SCHEMBL25670916

SCHEMBL25670916

C=C(NC)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(OC2CCOCC2)c1OC

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 18/20 0.53
▸ JAK1 P23458 7/20 0.53
▸ CYP2C19 P33261 1/20 0.51
▸ JAK2 O60674 5/20 0.49
▸ JAK3 P52333 2/20 0.43

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
SCHEMBL30465847 0.93 TYK2 (0.62) TYK2JAK1CYP2C19JAK2
SCHEMBL25670933 0.93 TYK2 (0.62) TYK2JAK1CYP2C19JAK2
SCHEMBL25669827 0.84 TYK2 (0.63) TYK2JAK1CYP2C19JAK2
SCHEMBL30465841 0.81 TYK2 (0.52) TYK2JAK1CYP2C19JAK2
SCHEMBL25670653 0.81 TYK2 (0.52) TYK2JAK1CYP2C19JAK2
SCHEMBL25670928 0.80 KAT2B (0.53) TYK2JAK1CYP2C19JAK2
SCHEMBL26462376 0.77 TYK2 (0.73) TYK2JAK1CYP2C19JAK2
SCHEMBL31017330 0.75 KAT2B (0.55) TYK2JAK1
SCHEMBL30465878 0.75 TYK2 (0.55) TYK2JAK1JAK2
SCHEMBL25669919 0.75 TYK2 (0.55) TYK2JAK1JAK2

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-2023109120-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 — — WO disclosed
Send feedback