SCHEMBL22147889

SCHEMBL22147889

Nc1nnc2cc(Cl)ncn12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 3/20 0.53
CLK4 Q9HAZ1 3/20 0.53
DYRK1B Q9Y463 3/20 0.53
ABL1 P00519 2/20 0.53
CDK7 P50613 2/20 0.53
PDGFRA P16234 1/20 0.53
BTK Q06187 1/20 0.53
MAP4K2 Q12851 1/20 0.53
AURKB Q96GD4 1/20 0.53
CHEK1 O14757 2/20 0.36
GRK5 P34947 2/20 0.36
LIMK1 P53667 2/20 0.36
TYRO3 Q06418 2/20 0.36
LRRK2 Q5S007 2/20 0.36
RET P07949 2/20 0.36
FGFR1 P11362 2/20 0.36
FLT1 P17948 2/20 0.36
KDR P35968 2/20 0.36
FLT3 P36888 2/20 0.36
ALK Q9UM73 2/20 0.36

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
SCHEMBL31329927 0.76 ABL1 (0.53) CSNK1A1CLK4DYRK1BABL1CDK7
SCHEMBL10138768 0.64 ABL1 (0.41) CSNK1A1CLK4DYRK1BABL1CDK7
SCHEMBL14141984 0.64 ABL1 (0.45) CSNK1A1CLK4DYRK1BABL1CDK7
SCHEMBL4071831 0.63 RET (0.43) CSNK1A1CLK4DYRK1BABL1CDK7
SCHEMBL17804189 0.63 ABL1 (0.40) CSNK1A1CLK4DYRK1BABL1CDK7
SCHEMBL557100 0.58 ABL1 (0.36) CSNK1A1CLK4DYRK1BABL1CDK7
SCHEMBL10830676 0.58 ABL1 (0.36) CSNK1A1CLK4DYRK1BABL1CDK7
SCHEMBL1187755 0.57 KDM4E (0.64) CSNK1A1CLK4DYRK1BABL1CDK7
Bromide SCHEMBL1188167 0.56 KDM4E (0.62) CSNK1A1CLK4DYRK1BABL1CDK7
SCHEMBL16946874 0.56 PIM1 (0.41) CSNK1A1CLK4DYRK1BABL1CDK7

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-2020125759-A1 COMPOUND AS WNT SIGNAL PATHWAY INHIBITOR AND MEDICAL USE THEREOF 汇瀚医疗科技有限公司 2020-06-25 WO disclosed