SCHEMBL7946079

SCHEMBL7946079

Nc1cccc2c1C(=O)c1cccc3[nH]nc-2c13

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.65
CDK2 P24941 4/20 0.65
TTK P33981 4/20 0.65
DYRK1A Q13627 4/20 0.65
CSNK1A1 P48729 4/20 0.65
LCK P06239 4/20 0.65
CSF1R P07333 4/20 0.65
FGFR1 P11362 4/20 0.65
ROCK1 Q13464 4/20 0.65
KIT P10721 4/20 0.65
CSNK1D P48730 4/20 0.65
MAPK8 P45983 3/20 0.65
MAPK9 P45984 3/20 0.65
FLT3 P36888 3/20 0.65
CSNK1G1 Q9HCP0 3/20 0.65
PLK4 O00444 3/20 0.65
AURKA O14965 3/20 0.65
NTRK1 P04629 3/20 0.65
CDK1 P06493 3/20 0.65
LYN P07948 3/20 0.65

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
SCHEMBL8336855 0.85 CDK2 (0.65) KDRCDK2TTKDYRK1ACSNK1A1
SCHEMBL1296328 0.82 TTK (0.65) KDRCDK2TTKDYRK1ACSNK1A1
SCHEMBL14307405 0.79 CDK2 (0.61) KDRCDK2TTKDYRK1ACSNK1A1
SCHEMBL170980 0.79 ALDH1A1 (1.00) KDRCDK2TTKDYRK1ACSNK1A1
SCHEMBL29693577 0.79 ALDH1A1 (1.00) KDRCDK2TTKDYRK1ACSNK1A1
SCHEMBL29941507 0.79 ALDH1A1 (1.00) KDRCDK2TTKDYRK1ACSNK1A1
SCHEMBL18292352 0.79 KMT2A (0.60) KDRCDK2TTKDYRK1ACSNK1A1
SCHEMBL8342541 0.78 CDK2 (0.60) KDRCDK2TTKDYRK1ACSNK1A1
SCHEMBL14277252 0.78 CDK2 (0.60) KDRCDK2TTKDYRK1ACSNK1A1
SCHEMBL12102946 0.78 CDK2 (0.56) KDRCDK2TTKDYRK1ACSNK1A1

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-2010039647-A2 SELECTIVE INHIBITORS OF C-JUN N-TERMINAL KINASES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2010-04-08 WO disclosed