SCHEMBL6820499

SCHEMBL6820499

CC(C)c1cc(Nc2nc(Nc3ccc4c(c3)N[N]C4=O)nc3ccc(-c4ccccc4)cc23)[nH]n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 3/20 0.37
SRC P12931 2/20 0.33
AURKA O14965 1/20 0.33
GSK3B P49841 1/20 0.33
NPY5R Q15761 1/20 0.33
PAK4 O96013 4/20 0.33
NPR1 P16066 1/20 0.33
SOS1 Q07889 1/20 0.33
EGFR P00533 2/20 0.32
ULK1 O75385 1/20 0.32
TP53 P04637 2/20 0.32
RIPK2 O43353 1/20 0.32
RIPK3 Q9Y572 1/20 0.32
MAPT P10636 1/20 0.32
RAF1 P04049 1/20 0.31
BRAF P15056 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
SCHEMBL6820504 0.87 TRIM58 (0.37) TRIM58SRCAURKAGSK3BNPY5R
SCHEMBL6819632 0.85 ULK1 (0.38) TRIM58NPY5RPAK4NPR1SOS1
SCHEMBL3763627 0.82 TRIM58 (0.39) TRIM58SRCAURKAGSK3BNPY5R
SCHEMBL6816711 0.77 AURKA (0.42) SRCAURKAGSK3BNPY5RSOS1
SCHEMBL6823211 0.75 ULK1 (0.46) SRCAURKAGSK3BNPY5RSOS1
SCHEMBL6820543 0.73 NTRK1 (0.39) SRCGSK3BPAK4EGFRULK1
SCHEMBL6823194 0.73 NPY5R (0.46) SRCAURKAGSK3BNPY5RSOS1
SCHEMBL6820537 0.73 ULK1 (0.35) NPY5RPAK4ULK1
SCHEMBL6820558 0.73 PDE5A (0.40) SRCAURKAGSK3BNPY5RSOS1
SCHEMBL3769675 0.71 AURKA (0.43) SRCAURKAGSK3BNPY5RSOS1

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-2004037814-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-06 WO disclosed