SCHEMBL30566577

SCHEMBL30566577

NC(=O)c1cnn2cc(-c3cnn(Br)c3)sc12

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 1/20 0.32
▸ JAK2 O60674 2/20 0.31
▸ JAK1 P23458 2/20 0.31
▸ TYK2 P29597 2/20 0.31
▸ JAK3 P52333 2/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ MKNK1 Q9BUB5 1/20 0.30
▸ MKNK2 Q9HBH9 1/20 0.30

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
SCHEMBL24576870 0.86 MKNK1 (0.41) JAK1TYK2JAK3CHEK1MKNK1
Hydrochloric Acid SCHEMBL30566474 0.85 MKNK1 (0.41) JAK1TYK2JAK3CHEK1MKNK1
SCHEMBL29759773 0.81 JAK1 (0.40) RIPK2JAK2JAK1TYK2JAK3
SCHEMBL30566568 0.81 JAK1 (0.35) RIPK2JAK2JAK1TYK2JAK3
SCHEMBL30566490 0.80 PDK2 (0.41) JAK2JAK1JAK3
SCHEMBL30566512 0.80 JAK3 (0.38) JAK2JAK1TYK2JAK3MKNK1
SCHEMBL29760263 0.80 CDC7 (0.43) RIPK2JAK2JAK1TYK2JAK3
SCHEMBL24576965 0.78 CHEK1 (0.37) RIPK2JAK2JAK1TYK2JAK3
SCHEMBL30566450 0.77 MKNK1 (0.46) JAK2JAK1TYK2JAK3MKNK1
Hydrochloric Acid SCHEMBL29759885 0.77 CHEK1 (0.37) RIPK2JAK2JAK1TYK2JAK3

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
CN-116802184-A Pyrazolothiazole carboxamides and their use as PDGFR inhibitors 埃科特莱茵药品有限公司 2023-09-22 — — CN disclosed
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