SCHEMBL6820537

SCHEMBL6820537

O=C1[N]Nc2cc(Nc3nc(Nc4cc(C5CC5)n[nH]4)c4cc(I)ccc4n3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 4/20 0.35
PDK1 Q15118 1/20 0.33
ULK2 Q8IYT8 1/20 0.33
NTRK1 P04629 2/20 0.31
NPY5R Q15761 1/20 0.30
PAK4 O96013 1/20 0.30

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
SCHEMBL6820543 0.91 NTRK1 (0.39) ULK1NTRK1PAK4
SCHEMBL6823211 0.89 ULK1 (0.46) ULK1PDK1ULK2NTRK1NPY5R
SCHEMBL6819632 0.89 ULK1 (0.38) ULK1PDK1ULK2NPY5RPAK4
SCHEMBL6819621 0.86 NTRK1 (0.39) ULK1PDK1ULK2NTRK1NPY5R
SCHEMBL6823194 0.86 NPY5R (0.46) ULK1PDK1ULK2NPY5R
SCHEMBL6819540 0.83 IRAK4 (0.32) ULK1PAK4
SCHEMBL3772000 0.81 ULK1 (0.37) ULK1PDK1ULK2NTRK1NPY5R
SCHEMBL6820767 0.81 AURKA (0.35) ULK1PDK1ULK2PAK4
SCHEMBL6823151 0.78 IGF1R (0.40)
SCHEMBL6820523 0.77 IGF1R (0.43)

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