SCHEMBL27293280

SCHEMBL27293280

CCOC(=O)c1cnc(NC(C)c2cn(C)nc2C)nc1Nc1cccc(-c2nnc(C)o2)c1OC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 9/20 0.41
▸ TYK2 P29597 2/20 0.40
▸ JAK1 P23458 2/20 0.40
▸ NPSR1 Q6W5P4 4/20 0.39
▸ ALOX15 P16050 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PPP1CA P62136 1/20 0.37
▸ JAK3 P52333 1/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ AXL P30530 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
SCHEMBL30923245 0.92 TYK2 (0.43) SYKTYK2JAK1JAK3AXL
SCHEMBL27293243 0.92 TYK2 (0.43) SYKTYK2JAK1JAK3AXL
SCHEMBL27291200 0.92 SYK (0.47) SYKTYK2JAK1JAK3
SCHEMBL30923162 0.92 SYK (0.47) SYKTYK2JAK1JAK3
SCHEMBL27417192 0.83 JAK3 (0.49) SYKTYK2JAK1NPSR1ALOX15
SCHEMBL27293351 0.82 NPSR1 (0.42) TYK2JAK1NPSR1ALOX15TSHR
SCHEMBL27293389 0.81 NPSR1 (0.42) SYKTYK2JAK1NPSR1ALOX15
SCHEMBL31711666 0.80 TYK2 (0.49) SYKTYK2JAK1NPSR1ALOX15
SCHEMBL27293253 0.80 TYK2 (0.49) SYKTYK2JAK1NPSR1ALOX15
SCHEMBL27294058 0.79 TYK2 (0.55) TYK2JAK1NPSR1ALOX15TSHR

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-2024107658-A2 INHIBITORS OF TYK2 VYRNWY THERAPEUTICS, INC. (US) 2024-05-23 — — WO disclosed
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