SCHEMBL3477641

SCHEMBL3477641

Cc1ccccc1-c1nc2occn2c1-c1ccnc(NC2CCN(C(=O)O)CC2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 12/20 0.63
MAPK9 P45984 12/20 0.63
PRKD3 O94806 4/20 0.63
MAP4K4 O95819 4/20 0.63
CSNK1A1 P48729 4/20 0.63
GSK3B P49841 4/20 0.63
CSNK1G2 P78368 4/20 0.63
PRKD2 Q9BZL6 4/20 0.63
CSNK1G1 Q9HCP0 4/20 0.63
CSNK1G3 Q9Y6M4 4/20 0.63
CDK2 P24941 4/20 0.63
MAPK1 P28482 3/20 0.63
GSK3A P49840 3/20 0.63
TAOK1 Q7L7X3 3/20 0.63
MINK1 Q8N4C8 3/20 0.63
CSNK1D P48730 3/20 0.63
CLK4 Q9HAZ1 2/20 0.63
CLK2 P49760 1/20 0.51
AURKB Q96GD4 1/20 0.51
HIPK2 Q9H2X6 1/20 0.51

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
SCHEMBL3818595 0.93 MAPK8 (0.72) MAPK8MAPK9PRKD3MAP4K4CSNK1A1
SCHEMBL2745509 0.89 MAPK9 (0.58) MAPK8MAPK9PRKD3MAP4K4CSNK1A1
SCHEMBL3818827 0.87 CDK2 (0.55) MAPK8MAPK9PRKD3MAP4K4CSNK1A1
SCHEMBL3812911 0.85 MAPK8 (0.69) MAPK8MAPK9PRKD3MAP4K4CSNK1A1
Hydrochloric Acid SCHEMBL2745924 0.84 MAPK8 (0.68) MAPK8MAPK9PRKD3MAP4K4CSNK1A1
SCHEMBL3813008 0.84 MAPK9 (0.71) MAPK8MAPK9PRKD3MAP4K4CSNK1A1
SCHEMBL3477389 0.82 MAPK8 (0.66) MAPK8MAPK9PRKD3MAP4K4CSNK1A1
SCHEMBL12023650 0.82 MAPK8 (0.51) MAPK8MAPK9PRKD3MAP4K4CSNK1A1
SCHEMBL2745543 0.82 MAPK8 (0.51) MAPK8MAPK9PRKD3MAP4K4CSNK1A1
SCHEMBL2745547 0.82 MAPK8 (0.51) MAPK8MAPK9PRKD3MAP4K4CSNK1A1

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-2258704-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase ArQule, Inc. (US) 2010-12-08 EP disclosed