SCHEMBL24577267

SCHEMBL24577267

CC1NC=C(NC(=O)CN2CC(C)(C)C2)C=C1NC(=O)c1cnn2cc(Br)sc12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ POLB P06746 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
SCHEMBL24577557 0.94 — —
SCHEMBL24577380 0.92 — —
SCHEMBL24579061 0.90 POLB (0.30) POLB
SCHEMBL24577394 0.90 POLB (0.33) POLB
SCHEMBL24579106 0.90 RAB9A (0.34) WNT1GSK3BDYRK1APOLB
SCHEMBL24578957 0.89 RAB9A (0.34) WNT1GSK3BDYRK1APOLB
SCHEMBL24577048 0.89 WNT1 (0.31) WNT1GSK3BDYRK1A
SCHEMBL24576978 0.87 GSK3B (0.41) WNT1GSK3BDYRK1A
SCHEMBL24579124 0.87 WNT1 (0.33) WNT1GSK3BDYRK1A
SCHEMBL24578986 0.87 — —

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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