SCHEMBL6820558

SCHEMBL6820558

O=C1[N]Nc2cc(Nc3nc(Nc4cc(-c5ccco5)n[nH]4)c4ccccc4n3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.40
SOS1 Q07889 4/20 0.39
NPY5R Q15761 4/20 0.39
MAPK1 P28482 5/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
KMT2A Q03164 3/20 0.38
XBP1 P17861 2/20 0.38
KDM1A O60341 1/20 0.38
AURKA O14965 1/20 0.38
SRC P12931 1/20 0.38
GSK3B P49841 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
USP2 O75604 1/20 0.37
NR2F2 P24468 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL6823211 0.82 ULK1 (0.46) SOS1NPY5RAURKASRCGSK3B
SCHEMBL3761974 0.81 PDE5A (0.41) PDE5ASOS1NPY5RMAPK1MAPT
SCHEMBL6816711 0.81 AURKA (0.42) SOS1NPY5RKMT2AAURKASRC
SCHEMBL6823194 0.81 NPY5R (0.46) PDE5ASOS1NPY5RAURKASRC
SCHEMBL6819632 0.74 ULK1 (0.38) SOS1NPY5RULK1
SCHEMBL6820504 0.73 TRIM58 (0.37) SOS1NPY5RMAPTAURKASRC
SCHEMBL6820499 0.73 TRIM58 (0.37) SOS1NPY5RMAPTAURKASRC
SCHEMBL6819621 0.72 NTRK1 (0.39) SOS1NPY5RULK1
SCHEMBL6820543 0.72 NTRK1 (0.39) SRCGSK3BULK1
SCHEMBL6820537 0.72 ULK1 (0.35) NPY5RULK1

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