SCHEMBL21208172

SCHEMBL21208172

c1ccccc(-c2ccnc(-c3cnc4ccccn34)n2)cccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.61
DYRK1A Q13627 2/20 0.57
FLT3 P36888 2/20 0.50
IRAK4 Q9NWZ3 6/20 0.49
PKM P14618 2/20 0.49
MAPK10 P53779 1/20 0.47
MIF P14174 1/20 0.47
MAPK8 P45983 2/20 0.46
CHEK1 O14757 2/20 0.46
CDK2 P24941 2/20 0.46
KDR P35968 2/20 0.46
MAP4K4 O95819 1/20 0.46
CSF1R P07333 1/20 0.46
PRKACA P17612 1/20 0.46
CDK8 P49336 1/20 0.46
MAP2K1 Q02750 1/20 0.46
ACVR1 Q04771 1/20 0.46
MAP4K2 Q12851 1/20 0.46
ROCK1 Q13464 1/20 0.46
AURKB Q96GD4 1/20 0.46

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
SCHEMBL16796241 0.81 FLT3 (0.57) KITDYRK1AFLT3IRAK4PKM
SCHEMBL21208173 0.81 DYRK1A (0.55) KITDYRK1AFLT3IRAK4PKM
SCHEMBL376358 0.81 KIT (0.53) KITDYRK1AFLT3IRAK4PKM
SCHEMBL29868755 0.81 PKM (0.54) KITDYRK1AFLT3IRAK4PKM
SCHEMBL1995553 0.81 KIT (0.53) KITDYRK1AFLT3IRAK4PKM
SCHEMBL2650330 0.79 FLT3 (0.74) KITDYRK1AFLT3IRAK4PKM
SCHEMBL1997512 0.78 DYRK1A (0.52) KITDYRK1AFLT3IRAK4PKM
SCHEMBL21208267 0.78 DYRK1A (0.52) KITDYRK1AFLT3IRAK4PKM
SCHEMBL25789349 0.77 FLT3 (0.67) KITDYRK1AFLT3IRAK4PKM
SCHEMBL21217156 0.76 IRAK4 (0.56) KITDYRK1AFLT3IRAK4PKM

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-2019148136-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 WO disclosed