SCHEMBL30809573

SCHEMBL30809573

COc1c(-c2cn3ncc(C(=O)Nc4cc(NC(=O)CN5CC(C)(C)C5)cnc4C)c3s2)cnn1C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ GPR6 P46095 1/20 0.33
▸ CHRM1 P11229 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ WNT3A P56704 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
SCHEMBL29759698 0.91 WNT1 (0.35) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL24579122 0.91 WNT1 (0.35) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL30809512 0.89 WNT1 (0.33) WNT1GSK3BDYRK1AGPR6CHRM1
SCHEMBL30809448 0.89 CHRM1 (0.37) GPR6CHRM1PDGFRAHRH3
SCHEMBL24579107 0.87 WNT1 (0.35) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL29760123 0.87 WNT1 (0.37) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL29760014 0.87 WNT1 (0.35) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL29759928 0.86 AXL (0.34) WNT1GSK3BDYRK1A
SCHEMBL27185113 0.86 AXL (0.34) WNT1GSK3BDYRK1A
SCHEMBL24577866 0.86 POLQ (0.38) WNT1GSK3BDYRK1AWNT3A

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-2023247596-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 — — WO claimed
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