SCHEMBL16494524

SCHEMBL16494524

O=C1Cc2cc(CNc3nccc(NCc4ccc5[nH]ncc5c4)n3)ccc2N1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 6/20 0.48
▸ CLK2 P49760 6/20 0.48
▸ DYRK1A Q13627 6/20 0.48
▸ CLK4 Q9HAZ1 6/20 0.48
▸ DYRK1B Q9Y463 6/20 0.48
▸ CLK3 P49761 2/20 0.47
▸ PTK2 Q05397 3/20 0.45
▸ PTK2B Q14289 3/20 0.45
▸ CDK2 P24941 1/20 0.43
▸ BCL6 P41182 2/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ KDR P35968 3/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ PLK1 P53350 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL16494497 0.86 PTK2 (0.45) PTK2PTK2BCDK2BCL6MAPK1
SCHEMBL2598604 0.86 PTK2 (0.45) PTK2PTK2BCDK2BCL6MAPK1
SCHEMBL16494444 0.83 PTK2 (0.46) PTK2PTK2BCDK2BCL6MAPK1
SCHEMBL16495061 0.83 PTK2 (0.46) PTK2PTK2BCDK2BCL6MAPK1
SCHEMBL16494276 0.83 JAK2 (0.47) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL16495191 0.78 PTK2 (0.40) PTK2PTK2BBCL6MAPK1
SCHEMBL16494581 0.78 PTK2 (0.40) PTK2PTK2BBCL6MAPK1
SCHEMBL12185305 0.78 CLK1 (0.55) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL12185454 0.76 CLK1 (0.53) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL16494313 0.75 PTK2 (0.40) CLK1CLK2DYRK1ACLK4DYRK1B

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
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