SCHEMBL30907366

SCHEMBL30907366

CCCC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)OC(C)(C)C)cc3cn2)cn1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.44
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
MAP4K1 Q92918 7/20 0.36
SREBF2 Q12772 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
SCHEMBL30907334 0.92 ABL1 (0.46) ABL1GSK3BDYRK1AMAP4K1
SCHEMBL30907569 0.86 ABL1 (0.44) ABL1MAP4K1
SCHEMBL30907475 0.84 GSK3B (0.41) ABL1GSK3BDYRK1AMAP4K1SREBF2
SCHEMBL30907457 0.82 ABL1 (0.61) ABL1MAP4K1
SCHEMBL30907666 0.82 ABL1 (0.50) ABL1GSK3BDYRK1A
SCHEMBL30907374 0.82 ABL1 (0.43) ABL1MAP4K1
SCHEMBL30907169 0.82 ABL1 (0.43) ABL1MAP4K1
SCHEMBL30907548 0.80 ABL1 (0.54) ABL1GSK3BDYRK1A
SCHEMBL30907177 0.80 ABL1 (0.33) ABL1
SCHEMBL30907294 0.80 ABL1 (0.57) ABL1GSK3BDYRK1A

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