SCHEMBL30566531

SCHEMBL30566531

N#CCn1cc(-c2cn3ncc(C(N)=O)c3s2)cn1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.34
▸ FEN1 P39748 2/20 0.33
▸ JAK3 P52333 16/20 0.33
▸ JAK1 P23458 15/20 0.33

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
SCHEMBL30566490 0.83 PDK2 (0.41) FEN1JAK3JAK1
SCHEMBL30566481 0.81 JAK1 (0.35) JAK3JAK1
SCHEMBL24576990 0.80 IKBKE (0.41) FEN1JAK3JAK1
SCHEMBL29759678 0.79 KDM1A (0.38) JAK3JAK1
SCHEMBL30566577 0.78 RIPK2 (0.32) JAK3JAK1
SCHEMBL24576870 0.78 MKNK1 (0.41) JAK3JAK1
Hydrochloric Acid SCHEMBL30566474 0.77 MKNK1 (0.41) JAK3JAK1
SCHEMBL29759773 0.75 JAK1 (0.40) JAK3JAK1
SCHEMBL30566568 0.75 JAK1 (0.35) JAK3JAK1
SCHEMBL30566512 0.74 JAK3 (0.38) TGFBR1JAK3JAK1

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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