SCHEMBL14600660

SCHEMBL14600660

Cc1nccn2c(-c3ccnc(NCC4(O)CC4)n3)c(-c3ccc(F)cc3F)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 19/20 1.00
CSNK1D P48730 19/20 1.00
MAP4K4 O95819 16/20 1.00
CSNK1A1 P48729 16/20 1.00
PRKD3 O94806 15/20 1.00
MAPK8 P45983 13/20 1.00
PRKD2 Q9BZL6 13/20 1.00
TAOK1 Q7L7X3 12/20 1.00
GSK3B P49841 9/20 1.00
LIMK1 P53667 8/20 1.00
CLK4 Q9HAZ1 3/20 1.00
MINK1 Q8N4C8 13/20 0.73
MAP4K5 Q9Y4K4 10/20 0.73
MAPK14 Q16539 3/20 0.73
CSNK1G2 P78368 11/20 0.71
CSNK1G3 Q9Y6M4 10/20 0.71
PRKCG P05129 1/20 0.71
EPHA2 P29317 1/20 0.71
EGFR P00533 1/20 0.71
PRKX P51817 1/20 0.69

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
SCHEMBL13342091 0.91 MAPK9 (0.83) MAPK9CSNK1DMAP4K4CSNK1A1PRKD3
SCHEMBL13342013 0.89 MAPK9 (0.80) MAPK9CSNK1DMAP4K4CSNK1A1PRKD3
SCHEMBL13342092 0.84 MAPK9 (1.00) MAPK9CSNK1DMAP4K4CSNK1A1PRKD3
SCHEMBL3523159 0.83 MAPK9 (1.00) MAPK9CSNK1DMAP4K4CSNK1A1PRKD3
SCHEMBL3663948 0.83 MAPK9 (1.00) MAPK9CSNK1DMAP4K4CSNK1A1PRKD3
SCHEMBL13368470 0.83 MAPK9 (0.73) MAPK9CSNK1DMAP4K4CSNK1A1PRKD3
SCHEMBL3724163 0.76 MAPK9 (1.00) MAPK9CSNK1DMAP4K4CSNK1A1PRKD3
SCHEMBL3525735 0.76 MAPK9 (0.63) MAPK9CSNK1DMAP4K4CSNK1A1PRKD3
SCHEMBL3525985 0.76 MAPK9 (0.62) MAPK9CSNK1DMAP4K4CSNK1A1PRKD3
SCHEMBL3663739 0.73 MAPK9 (1.00) MAPK9CSNK1DMAP4K4CSNK1A1PRKD3

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
WO-2007028051-A2 NOVEL IMIDAZO BASED HETEROCYCLES ABBOTT LABORATORIES (US) 2007-03-08 WO disclosed