SCHEMBL24576875

SCHEMBL24576875

Cc1ncc(NC(=O)CN2CCC3(CC3)C2)cc1NC(=O)c1cnn2cc(-c3cnn(CCO)c3)sc12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ DYRK1A Q13627 2/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ IKBKE Q14164 1/20 0.33
▸ TBK1 Q9UHD2 1/20 0.33
▸ KCNH2 Q12809 3/20 0.33
▸ HDAC1 Q13547 3/20 0.33
▸ MET P08581 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ CSF1R P07333 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ OGA O60502 2/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 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
SCHEMBL29759480 1.00 WNT1 (0.35) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL24577024 0.97 CHRM1 (0.35) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL29759490 0.97 CHRM1 (0.35) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL24578175 0.96 GSK3B (0.39) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL29759509 0.96 GSK3B (0.39) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL24577746 0.94 IKBKE (0.37) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL29760006 0.94 IKBKE (0.37) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL29759445 0.94 CHRM1 (0.36) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL24576881 0.94 CHRM1 (0.36) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL30897451 0.90 WNT1 (0.38) WNT1GSK3BDYRK1ACHRM1PDGFRA

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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