SCHEMBL7111817

SCHEMBL7111817

O=[N+]([O-])c1c[nH]c2ncc(-c3ccccc3)cc12

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AXL P30530 9/20 0.60
CDK8 P49336 4/20 0.60
TNIK Q9UKE5 1/20 0.60
GSK3B P49841 1/20 0.58
RIPK1 Q13546 2/20 0.54
SGK1 O00141 3/20 0.52
CAMKK2 Q96RR4 1/20 0.52
DYRK1A Q13627 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
IGF1R P08069 1/20 0.48

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
SCHEMBL7113953 0.86 DYRK1A (0.70) AXLRIPK1SGK1CAMKK2DYRK1A
SCHEMBL29337209 0.79 RIPK1 (0.77) AXLCDK8TNIKGSK3BRIPK1
SCHEMBL30987950 0.79 RIPK1 (0.77) AXLCDK8TNIKGSK3BRIPK1
SCHEMBL23166582 0.76 DYRK1A (0.39) GSK3BDYRK1ADYRK1B
SCHEMBL7114099 0.76 DYRK1A (0.48) CDK8GSK3BDYRK1ADYRK1BIGF1R
SCHEMBL15155057 0.76 JAK2 (0.48) DYRK1ADYRK1B
SCHEMBL15154912 0.76 SMN1; SMN2 (0.44) DYRK1ADYRK1B
SCHEMBL7112799 0.76 KIT (0.53) DYRK1ADYRK1B
SCHEMBL29337212 0.76 RIPK1 (0.60) AXLCDK8TNIKRIPK1SGK1
SCHEMBL30987941 0.76 RIPK1 (0.60) AXLCDK8TNIKRIPK1SGK1

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-2003028724-A1 CHK1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-10 WO disclosed