SCHEMBL30907475

SCHEMBL30907475

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
ABL1 P00519 13/20 0.38
MAP4K1 Q92918 1/20 0.38
AAK1 Q2M2I8 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
CDK9 P50750 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
SREBF2 Q12772 1/20 0.34

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 0.93 GSK3B (0.42) GSK3BDYRK1AABL1MAP4K1AAK1
SCHEMBL30907652 0.88 GSK3B (0.47) GSK3BDYRK1AABL1MAP4K1AAK1
SCHEMBL30907111 0.87 ABL1 (0.43) ABL1
SCHEMBL30907366 0.84 ABL1 (0.44) GSK3BDYRK1AABL1MAP4K1SREBF2
SCHEMBL30907435 0.81 ABL1 (0.51) ABL1MAP4K1
SCHEMBL30907120 0.80 ABL1 (0.52) ABL1MAP4K1
SCHEMBL30907100 0.80 ABL1 (0.52) ABL1MAP4K1
SCHEMBL30907308 0.80 ABL1 (0.39) ABL1
SCHEMBL30907294 0.79 ABL1 (0.57) GSK3BDYRK1AABL1
SCHEMBL30907451 0.78 ABL1 (0.39) ABL1

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