SCHEMBL24577991

SCHEMBL24577991

Cc1ncc(NC(=O)CN2CCCC(O)C2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ GSK3B P49841 13/20 0.37
▸ DYRK1A Q13627 13/20 0.37
▸ WNT1 P04628 12/20 0.37
▸ CSF1R P07333 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ IRAK4 Q9NWZ3 4/20 0.35
▸ GRM2 Q14416 1/20 0.35

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
SCHEMBL29760094 1.00 CHRM1 (0.39) CHRM1PDGFRAHRH3GSK3BDYRK1A
SCHEMBL24577827 0.91 GSK3B (0.43) CHRM1PDGFRAHRH3GSK3BDYRK1A
SCHEMBL24577139 0.87 GSK3B (0.44) CHRM1PDGFRAHRH3GSK3BDYRK1A
SCHEMBL29759460 0.87 GSK3B (0.47) CHRM1PDGFRAHRH3GSK3BDYRK1A
SCHEMBL29759484 0.87 GSK3B (0.47) CHRM1PDGFRAHRH3GSK3BDYRK1A
SCHEMBL24577030 0.87 GSK3B (0.38) CHRM1PDGFRAHRH3GSK3BDYRK1A
SCHEMBL29760208 0.87 GSK3B (0.38) CHRM1PDGFRAHRH3GSK3BDYRK1A
SCHEMBL29759990 0.86 GSK3B (0.49) CHRM1PDGFRAHRH3GSK3BDYRK1A
SCHEMBL24578483 0.86 GSK3B (0.49) CHRM1PDGFRAHRH3GSK3BDYRK1A
SCHEMBL29759759 0.86 GSK3B (0.49) CHRM1PDGFRAHRH3GSK3BDYRK1A

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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