SCHEMBL16494347

SCHEMBL16494347

Cc1cc2cc(CNc3ncc(Cc4ccc5[nH]ncc5c4)c(N)n3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.42
LMNA P02545 2/20 0.42
CLK1 P49759 3/20 0.41
CLK2 P49760 3/20 0.41
DYRK1A Q13627 3/20 0.41
CLK4 Q9HAZ1 3/20 0.41
DYRK1B Q9Y463 3/20 0.41
CLK3 P49761 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.39
CDK2 P24941 1/20 0.38
IDH1 O75874 1/20 0.37

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
SCHEMBL16494907 0.88 ROCK2 (0.45) VCPCLK2DYRK1ACLK4DYRK1B
SCHEMBL16494409 0.86 CLK1 (0.40) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL14839724 0.86 VCP (0.42) VCPLMNAMAPTALDH1A1KDM4E
SCHEMBL2598738 0.85 LMNA (0.41) VCPLMNACLK1CLK2DYRK1A
SCHEMBL16494287 0.85 VCP (0.41) VCPLMNAMAPTALDH1A1KDM4E
SCHEMBL16494886 0.84 VCP (0.41) VCPLMNAMAPTALDH1A1KDM4E
SCHEMBL16494310 0.84 CLK2 (0.45) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL16494099 0.82 CLK2 (0.43) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL16494536 0.82 CLK1 (0.43) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL12185454 0.79 CLK1 (0.53) LMNACLK1CLK2DYRK1ACLK4

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
EP-2395001-A1 Novel pyrimidine derivatives Chemilia AB (SE) 2011-12-14 EP disclosed