SCHEMBL24577452

SCHEMBL24577452

Cc1nn(C)cc1-c1cn2ncc(C(=O)NC3=CC(NC(=O)CN4CCCC4C)=CNC3C)c2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 3/20 0.36
▸ GSK3B P49841 3/20 0.36
▸ DYRK1A Q13627 3/20 0.36
▸ ITGA4 P13612 1/20 0.32
▸ ITGB7 P26010 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HRH3 Q9Y5N1 3/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ PIM1 P11309 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ RAD52 P43351 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL24577883 0.90 PIM1 (0.31) WNT1GSK3BDYRK1APIM1SSTR2
SCHEMBL24577551 0.88 GSK3B (0.44) WNT1GSK3BDYRK1AITGA4ITGB7
SCHEMBL24577444 0.87 SSTR2 (0.31) WNT1GSK3BDYRK1AALDH1A1TSHR
SCHEMBL24577841 0.85 GSK3B (0.37) WNT1GSK3BDYRK1AITGA4ITGB7
SCHEMBL24579234 0.85 CHRM3 (0.36) —
SCHEMBL24577843 0.84 WNT1 (0.38) WNT1GSK3BDYRK1A
SCHEMBL29760002 0.84 WNT1 (0.39) WNT1GSK3BDYRK1AITGA4ITGB7
SCHEMBL29759579 0.84 WNT1 (0.39) WNT1GSK3BDYRK1AITGA4ITGB7
SCHEMBL24577595 0.82 ITGA4 (0.36) WNT1GSK3BDYRK1AITGA4ITGB7
SCHEMBL24577105 0.79 WNT1 (0.35) WNT1GSK3BDYRK1APIM1

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