SCHEMBL2092425

SCHEMBL2092425

COc1ccc(Cn2cc(C(=O)O)c(=O)c3c(C)c(F)c(N4CC[C@H](NC(=O)OC(C)(C)C)C4)nc32)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 2/20 0.45
DYRK3 O43781 1/20 0.45
SRPK1 Q96SB4 1/20 0.45
CSNK1G1 Q9HCP0 1/20 0.45
SUV39H2 Q9H5I1 17/20 0.41
PDE10A Q9Y233 1/20 0.39
RPS6KB1 P23443 1/20 0.39
MATK P42679 1/20 0.39
DYRK1A Q13627 1/20 0.39
MAPKAPK3 Q16644 1/20 0.39
AURKB Q96GD4 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
SCHEMBL2093107 1.00 PIM3 (0.45) PIM3DYRK3SRPK1CSNK1G1SUV39H2
SCHEMBL2092722 1.00 PIM3 (0.45) PIM3DYRK3SRPK1CSNK1G1SUV39H2
SCHEMBL2093422 0.94 SUV39H2 (0.41) PIM3DYRK3SRPK1CSNK1G1SUV39H2
SCHEMBL2097591 0.93 SUV39H2 (0.41) PIM3DYRK3SRPK1CSNK1G1SUV39H2
SCHEMBL2091583 0.93 SUV39H2 (0.40) PIM3DYRK3SRPK1CSNK1G1SUV39H2
SCHEMBL2093143 0.93 SUV39H2 (0.40) PIM3DYRK3SRPK1CSNK1G1SUV39H2
SCHEMBL2094630 0.93 SUV39H2 (0.40) PIM3DYRK3SRPK1CSNK1G1SUV39H2
SCHEMBL2094205 0.92 SUV39H2 (0.40) PIM3DYRK3SRPK1CSNK1G1SUV39H2
SCHEMBL2094393 0.90 P2RX7 (0.35) PIM3DYRK3SRPK1CSNK1G1RPS6KB1
SCHEMBL2094713 0.89 LMNA (0.43) SUV39H2PDE10A

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
US-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 US disclosed