SCHEMBL27293318

SCHEMBL27293318

COc1c(Nc2nc(NC(C)Cn3nc(C)cc3C)ncc2C(=O)O)cccc1-c1nnc(C)o1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 5/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ SYK P43405 6/20 0.36
▸ PTK2 Q05397 1/20 0.35
▸ AXL P30530 1/20 0.35
▸ LRRK2 Q5S007 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PPP1CA P62136 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MAP4K3 Q8IVH8 1/20 0.34
▸ MAP4K1 Q92918 1/20 0.34
▸ IRAK4 Q9NWZ3 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
SCHEMBL27291407 0.94 SYK (0.44) TYK2JAK1SYK
SCHEMBL30923291 0.94 SYK (0.44) TYK2JAK1SYK
SCHEMBL27293351 0.93 NPSR1 (0.42) TYK2JAK1MEN1KMT2ALMNA
SCHEMBL27294462 0.88 NPSR1 (0.42) MEN1KMT2ALMNASYKPTK2
SCHEMBL27293130 0.85 TYK2 (0.48) TYK2JAK1
SCHEMBL30923228 0.85 TYK2 (0.48) TYK2JAK1
SCHEMBL30923196 0.82 SYK (0.42) SYKNPSR1
SCHEMBL27291912 0.82 SYK (0.42) SYKNPSR1
SCHEMBL27294494 0.81 ALDH1A1 (0.42) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL30923245 0.80 TYK2 (0.43) TYK2JAK1SYKAXL

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
Send feedback