SCHEMBL24577925

SCHEMBL24577925

COCCn1cc(-c2cn3ncc(C(=O)Nc4cc(NC(=O)CN5CCC[C@H]5C)cnc4C)c3s2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 3/20 0.39
▸ GSK3B P49841 3/20 0.39
▸ DYRK1A Q13627 3/20 0.39
▸ IKBKE Q14164 6/20 0.37
▸ TBK1 Q9UHD2 6/20 0.37
▸ KAT5 Q92993 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ JAK2 O60674 3/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ TYK2 P29597 2/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ BTK Q06187 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MEN1 O00255 1/20 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
SCHEMBL24577181 1.00 WNT1 (0.39) WNT1GSK3BDYRK1AIKBKETBK1
SCHEMBL29759836 1.00 WNT1 (0.39) WNT1GSK3BDYRK1AIKBKETBK1
SCHEMBL29760210 1.00 WNT1 (0.39) WNT1GSK3BDYRK1AIKBKETBK1
SCHEMBL29759746 1.00 WNT1 (0.39) WNT1GSK3BDYRK1AIKBKETBK1
SCHEMBL29759835 1.00 WNT1 (0.39) WNT1GSK3BDYRK1AIKBKETBK1
SCHEMBL24579078 1.00 WNT1 (0.39) WNT1GSK3BDYRK1AIKBKETBK1
SCHEMBL29759958 0.94 GSK3B (0.40) WNT1GSK3BDYRK1AIKBKETBK1
SCHEMBL24577193 0.93 IKBKE (0.36) WNT1GSK3BDYRK1AIKBKETBK1
SCHEMBL29759956 0.93 IKBKE (0.36) WNT1GSK3BDYRK1AIKBKETBK1
SCHEMBL29759548 0.92 WNT1 (0.38) WNT1GSK3BDYRK1AIKBKETBK1

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-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 — — WO disclosed
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