SCHEMBL30907652

SCHEMBL30907652

CC(=O)c1cc(C)c(-c2cnc3cc(NC(=O)OC(C)(C)C)ncc3c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.47
DYRK1A Q13627 1/20 0.47
ABL1 P00519 15/20 0.42
MAP4K1 Q92918 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
FGFR1 P11362 1/20 0.36
CDK9 P50750 1/20 0.35

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
SCHEMBL30907378 0.90 GSK3B (0.42) GSK3BDYRK1AABL1MAP4K1AAK1
SCHEMBL30907475 0.88 GSK3B (0.41) GSK3BDYRK1AABL1MAP4K1AAK1
SCHEMBL30907372 0.79 ABL1 (0.42) ABL1
SCHEMBL30907625 0.78 ABL1 (0.56) ABL1MAP4K1
SCHEMBL30907495 0.76 ABL1 (0.42) ABL1FGFR1
SCHEMBL30907294 0.76 ABL1 (0.57) GSK3BDYRK1AABL1
SCHEMBL30907111 0.74 ABL1 (0.43) ABL1FGFR1
SCHEMBL15289567 0.73 BRAF (0.63) GSK3BDYRK1AABL1
SCHEMBL16753674 0.73 GSK3B (0.45) GSK3BDYRK1AAAK1
SCHEMBL12225872 0.73 GSK3B (0.48) GSK3BDYRK1AAAK1

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-2024097953-A1 NAPHTHYRIDINE COMPOUNDS FOR INHIBITION OF RAF KINASES ENLIVEN INC. (US) 2024-05-10 WO disclosed