SCHEMBL1683403

SCHEMBL1683403

FNc1cnc2[nH]ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 4/20 0.51
AXL P30530 3/20 0.51
ULK1 O75385 6/20 0.50
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
PIK3CG P48736 1/20 0.50
RIPK1 Q13546 3/20 0.49
KIT P10721 1/20 0.46
NUDT1 P36639 2/20 0.45
FGFR1 P11362 2/20 0.43
KDR P35968 2/20 0.43
BRD4 O60885 1/20 0.43
PLK4 O00444 1/20 0.43
CHEK1 O14757 1/20 0.43
PDPK1 O15530 1/20 0.43
DYRK3 O43781 1/20 0.43
JAK2 O60674 1/20 0.43
ROCK2 O75116 1/20 0.43
PRKD3 O94806 1/20 0.43

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
SCHEMBL1683410 0.81 ULK1 (0.55) CDK8AXLULK1PIK3CDPIK3CA
Hydrochloric Acid SCHEMBL28886175 0.79 ULK1 (0.53) CDK8AXLULK1PIK3CDPIK3CA
SCHEMBL878920 0.79 ULK1 (0.52) CDK8AXLULK1PIK3CDPIK3CA
SCHEMBL878862 0.78 ULK1 (0.51) CDK8AXLULK1PIK3CDPIK3CA
SCHEMBL856199 0.77 CDK8 (0.60) CDK8AXLULK1PIK3CDPIK3CA
SCHEMBL1683432 0.77 ABL1 (0.49) CDK8AXLULK1PIK3CDPIK3CA
SCHEMBL21779268 0.77 ULK1 (0.48) CDK8AXLULK1PIK3CDPIK3CA
SCHEMBL29375909 0.77 CDK8 (0.49) CDK8AXLULK1PIK3CDPIK3CA
SCHEMBL11886203 0.77 CDK8 (0.47) CDK8AXLULK1PIK3CDPIK3CA
SCHEMBL297772 0.76 CDK8 (0.55) CDK8AXLPIK3CDPIK3CAPIK3CB

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
EP-1539763-B1 AZAINDOLE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-04-13 EP disclosed