SCHEMBL27299136

SCHEMBL27299136

CCn1cnc(-c2cccc(Nc3nc(Nc4ccncc4)ncc3C(=O)O)c2OC)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.42
▸ JAK3 P52333 7/20 0.42
▸ JAK2 O60674 5/20 0.42
▸ JAK1 P23458 4/20 0.42
▸ MAPK8 P45983 2/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ PTK2 Q05397 2/20 0.40
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CCND2 P30279 1/20 0.39
▸ CCND3 P30281 1/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ ALK Q9UM73 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39

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
SCHEMBL27295670 0.89 TYK2 (0.48) AURKAJAK2JAK1TYK2
SCHEMBL30923150 0.89 TYK2 (0.48) AURKAJAK2JAK1TYK2
SCHEMBL30923220 0.82 JAK2 (0.48) AURKAJAK2JAK1TYK2
SCHEMBL27295711 0.82 JAK2 (0.48) AURKAJAK2JAK1TYK2
SCHEMBL30923244 0.82 TYK2 (0.48) JAK2JAK1TYK2
SCHEMBL27298988 0.82 TYK2 (0.48) JAK2JAK1TYK2
SCHEMBL27290127 0.82 JAK1 (0.48) JAK3JAK2JAK1MAPK8TYK2
Lithium SCHEMBL31017345 0.79 AXL (0.51) AURKAJAK2JAK1TYK2
Lithium SCHEMBL31017478 0.79 TYK2 (0.56) AURKAJAK2JAK1TYK2
SCHEMBL31711659 0.78 JAK1 (0.51) JAK3JAK2JAK1TYK2GSK3A

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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