SCHEMBL30085548

SCHEMBL30085548

Clc1ccc(-c2cnc(-c3cccnc3)nc2NCc2ccncc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 7/20 0.60
DYRK1A Q13627 2/20 0.60
PDE5A O76074 3/20 0.54
IRAK1 P51617 1/20 0.53
IRAK4 Q9NWZ3 1/20 0.53
USP1 O94782 6/20 0.49
WDR48 Q8TAF3 6/20 0.49
CYP1A2 P05177 6/20 0.49
CYP3A4 P08684 6/20 0.49
CYP2D6 P10635 5/20 0.49
CYP2C19 P33261 5/20 0.49
HSD17B10 Q99714 3/20 0.49
ALDH1A1 P00352 3/20 0.49
USP2 O75604 2/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
GBA1 P04062 1/20 0.49
TP53 P04637 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
SCHEMBL30085696 0.92 CLK4 (0.58) CLK4DYRK1APDE5AUSP1WDR48
SCHEMBL30085423 0.85 CLK4 (0.51) CLK4DYRK1APDE5AUSP1WDR48
SCHEMBL30085426 0.84 KCNA5 (0.60) CLK4DYRK1APDE5AIRAK1IRAK4
SCHEMBL30085562 0.83 DYRK1A (0.49) CLK4DYRK1APDE5AIRAK1USP1
SCHEMBL30085676 0.81 PDE5A (0.56) CLK4DYRK1APDE5AIRAK1IRAK4
SCHEMBL30085439 0.78 MEN1 (0.49) CLK4DYRK1AIRAK1IRAK4CYP1A2
SCHEMBL30085662 0.77 IRAK1 (0.55) CLK4DYRK1APDE5AIRAK1IRAK4
SCHEMBL28895174 0.76 CLK4 (0.64) CLK4DYRK1APDE5AUSP1WDR48
SCHEMBL30085882 0.76 CLK4 (0.64) CLK4DYRK1APDE5AUSP1WDR48
SCHEMBL8042391 0.75 PDE5A (0.63) CLK4DYRK1APDE5ACYP1A2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115397818-A Aminopyrimidine derivatives and their use as modulators of arene receptors 东亚ST株式会社 2022-11-25 CN claimed
CN-115397818-A Aminopyrimidine derivatives and their use as modulators of arene receptors 东亚ST株式会社 2022-11-25 CN disclosed