SCHEMBL21408239

SCHEMBL21408239

Cn1nc(N)c(C(N)=O)c1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
KDR P35968 2/20 0.48
GSK3B P49841 2/20 0.48
CSF1R P07333 1/20 0.48
FGFR1 P11362 1/20 0.48
FLT1 P17948 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CDK8 P49336 1/20 0.48
GSK3A P49840 1/20 0.48
CDK5 Q00535 1/20 0.48
PRKCQ Q04759 1/20 0.48
LRRK2 Q5S007 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
TSHR P16473 4/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HSD17B10 Q99714 2/20 0.45

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
SCHEMBL28248772 0.79 POLB (0.51) POLBKDRGSK3BCSF1RFGFR1
SCHEMBL17173936 0.77 POLB (0.68) POLBKDRGSK3BCSF1RFGFR1
SCHEMBL8041064 0.75 GSK3B (0.46) POLBKDRGSK3BCSF1RFGFR1
SCHEMBL20550958 0.75 KMT2A (0.43) KMT2ALMNA
SCHEMBL28272012 0.74 POLB (0.49) POLBKDRGSK3BCSF1RFGFR1
SCHEMBL17610383 0.74 GSK3B (0.49) POLBKDRGSK3BCSF1RFGFR1
SCHEMBL8888266 0.73 CSF1R (0.66) POLBKDRGSK3BCSF1RFGFR1
SCHEMBL13615359 0.73 CYP1A2 (0.67) POLBKDRGSK3BCSF1RFGFR1
SCHEMBL21711383 0.73 GSK3B (0.44) POLBKDRGSK3BCSF1RFGFR1
SCHEMBL27850030 0.72 MAP2K1 (0.48) POLBCLK4DYRK1BKMT2AMEN1

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-2019184918-A1 3-AMINOPYRAZOLE COMPOUND AND APPLICATION THEREOF 暨南大学 2019-10-03 WO disclosed