SCHEMBL24577635

SCHEMBL24577635

Cc1ncc(NC(=O)CN2CCCOCC2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 11/20 0.43
▸ GSK3B P49841 11/20 0.43
▸ DYRK1A Q13627 11/20 0.43
▸ WNT3A P56704 4/20 0.39
▸ CHRM1 P11229 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ RAF1 P04049 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ KIT P10721 1/20 0.36

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
SCHEMBL29759668 1.00 WNT1 (0.43) WNT1GSK3BDYRK1AWNT3ACHRM1
SCHEMBL24577058 0.97 GSK3B (0.45) WNT1GSK3BDYRK1AWNT3ACHRM1
SCHEMBL29759842 0.97 GSK3B (0.45) WNT1GSK3BDYRK1AWNT3ACHRM1
SCHEMBL24577827 0.93 GSK3B (0.43) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL24577139 0.90 GSK3B (0.44) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL29760004 0.88 GSK3B (0.41) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL29759806 0.88 CHRM1 (0.39) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL29759649 0.87 CHRM1 (0.38) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL29759507 0.87 CHRM1 (0.41) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL24578483 0.87 GSK3B (0.49) WNT1GSK3BDYRK1AWNT3ACHRM1

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
Send feedback