SCHEMBL12460581

SCHEMBL12460581

CC1=CCC(Cc2ccc(Cc3cc(-c4ccc(N)nc4N)on3)cc2)O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.34
JAK2 O60674 1/20 0.34
ROCK2 O75116 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
PIM1 P11309 1/20 0.34
PRKACA P17612 1/20 0.34
CDK2 P24941 1/20 0.34
KDR P35968 1/20 0.34
GSK3B P49841 1/20 0.34
AURKB Q96GD4 1/20 0.34
HIPK2 Q9H2X6 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL12460542 0.88 CDC7 (0.32) CDC7JAK2ROCK2MAP4K4PAK4
SCHEMBL12460495 0.82 ALDH1A1 (0.38) CDC7JAK2ROCK2MAP4K4PAK4
SCHEMBL12459946 0.77 CDC7 (0.32) CDC7JAK2ROCK2MAP4K4PAK4
SCHEMBL30518387 0.77 ALDH1A1 (0.41) CDC7JAK2ROCK2MAP4K4PAK4
SCHEMBL509609 0.77 ALDH1A1 (0.41) CDC7JAK2ROCK2MAP4K4PAK4
SCHEMBL21054763 0.77 ALDH1A1 (0.41) CDC7JAK2ROCK2MAP4K4PAK4
SCHEMBL510705 0.77 TDP1 (0.41) CDC7JAK2ROCK2MAP4K4PAK4
SCHEMBL12394520 0.76 ALDH1A1 (0.44) CDC7JAK2ROCK2MAP4K4PAK4
SCHEMBL510417 0.75 JAK2 (0.39) CDC7JAK2ROCK2MAP4K4PAK4
SCHEMBL510711 0.75 CDC7 (0.38) CDC7JAK2ROCK2MAP4K4PAK4

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-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed