SCHEMBL27290259

SCHEMBL27290259

COc1c(Nc2nc(Nc3ccccn3)ncc2C(N)=O)cccc1-c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 7/20 0.51
▸ JAK2 O60674 6/20 0.51
▸ JAK1 P23458 6/20 0.51
▸ TYK2 P29597 4/20 0.51
▸ SYK P43405 5/20 0.48
▸ MAPK9 P45984 3/20 0.46
▸ MAPK8 P45983 2/20 0.46
▸ MAPK10 P53779 1/20 0.44
▸ PTK2 Q05397 2/20 0.44
▸ FLT3 P36888 2/20 0.44
▸ TYRO3 Q06418 1/20 0.44
▸ MERTK Q12866 1/20 0.44
▸ GAS6 Q14393 1/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ CDC7 O00311 1/20 0.44
▸ PLK4 O00444 1/20 0.44
▸ CHEK1 O14757 1/20 0.44
▸ DCLK1 O15075 1/20 0.44
▸ CHUK O15111 1/20 0.44
▸ PDPK1 O15530 1/20 0.44

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
SCHEMBL30923225 1.00 JAK3 (0.51) JAK3JAK2JAK1TYK2SYK
SCHEMBL30923144 0.91 TYK2 (0.52) JAK3JAK2JAK1TYK2SYK
SCHEMBL27295941 0.91 PTK2 (0.45) JAK3JAK2JAK1TYK2SYK
SCHEMBL30923280 0.91 PTK2 (0.45) JAK3JAK2JAK1TYK2SYK
SCHEMBL27289879 0.91 TYK2 (0.52) JAK3JAK2JAK1TYK2SYK
SCHEMBL27292151 0.90 JAK3 (0.47) JAK3JAK2JAK1TYK2SYK
SCHEMBL27290481 0.90 JAK2 (0.47) JAK3JAK2JAK1TYK2SYK
SCHEMBL27290488 0.89 JAK3 (0.46) JAK3JAK2JAK1TYK2SYK
SCHEMBL30923147 0.87 JAK2 (0.48) JAK3JAK2JAK1TYK2SYK
SCHEMBL30923379 0.87 PTK2 (0.49) PTK2FLT3TYRO3MERTKGAS6

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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