SCHEMBL28208459

SCHEMBL28208459

COc1ccc(CNc2ncccn2)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.57
CLK4 Q9HAZ1 3/20 0.57
PDE5A O76074 10/20 0.53
CLK1 P49759 2/20 0.50
SLK Q9H2G2 1/20 0.50
CLK2 P49760 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM1A O60341 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49

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
SCHEMBL30724679 0.80 DYRK1A (0.53) DYRK1ACLK4CLK1CLK2DYRK1B
SCHEMBL27561188 0.80 HDAC3 (0.52) PDE5A
SCHEMBL27590341 0.79 SMN1; SMN2 (0.58) DYRK1ACLK4PDE5A
SCHEMBL17283029 0.77 PDE5A (0.49) DYRK1ACLK4PDE5ASLKKMT2A
SCHEMBL16848004 0.77 MEN1 (0.54) PDE5ASLKMEN1KMT2AKDM1A
SCHEMBL4975928 0.77 HTR7 (0.60) PDE5AMEN1KMT2AKDM1AMAOA
SCHEMBL14805818 0.76 GAA (0.51) PDE5ASLKMEN1KMT2AKDM1A
SCHEMBL17741919 0.76 GAA (0.56) DYRK1ACLK4PDE5ASLKKDM1A
SCHEMBL25912163 0.76 PLK1 (0.66) PDE5AMEN1KMT2A
SCHEMBL5544418 0.75 MAPT (0.52) PDE5ASLKMEN1KMT2AKDM1A

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
CN-104487434-B Double cyclosubstituted pyrimidines 山东轩竹医药科技有限公司 2018-05-22 CN disclosed