SCHEMBL24579094

SCHEMBL24579094

CC1NC=C(NC(=O)CN2CC3CCC(C2)O3)C=C1NC(=O)c1cnn2cc(-c3cc[nH]c3)sc12

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ DYRK1A Q13627 2/20 0.35
▸ WNT3A P56704 5/20 0.31
▸ MAPK8 P45983 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
SCHEMBL29759982 0.82 WNT1 (0.39) WNT1GSK3BDYRK1AWNT3A
SCHEMBL24577325 0.82 WNT1 (0.39) WNT1GSK3BDYRK1AMAPK8
SCHEMBL24576978 0.80 GSK3B (0.41) WNT1GSK3BDYRK1A
SCHEMBL24577786 0.79 IKBKE (0.34) —
SCHEMBL24577632 0.79 GSK3B (0.41) WNT1GSK3BDYRK1AWNT3A
SCHEMBL24579124 0.78 WNT1 (0.33) WNT1GSK3BDYRK1A
SCHEMBL24577046 0.78 GSK3B (0.46) WNT1GSK3BDYRK1A
SCHEMBL24578720 0.78 WNT1 (0.38) WNT1GSK3BDYRK1A
SCHEMBL24577394 0.77 POLB (0.33) MAPK8
SCHEMBL24577050 0.77 GSK3B (0.38) WNT1GSK3BDYRK1A

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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