SCHEMBL7802983

SCHEMBL7802983

Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCC(N)CC2)n1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.83
CSNK1D P48730 5/20 0.83
MAPK13 O15264 3/20 0.83
MAPK12 P53778 3/20 0.83
MAPK11 Q15759 3/20 0.83
CSNK1E P49674 2/20 0.83
EGFR P00533 2/20 0.83
KCNH2 Q12809 1/20 0.83
PRKD3 O94806 3/20 0.80
MAP4K4 O95819 3/20 0.80
CSNK1A1 P48729 3/20 0.80
MINK1 Q8N4C8 3/20 0.80
MAP4K5 Q9Y4K4 3/20 0.80
LCK P06239 2/20 0.80
MAPK9 P45984 2/20 0.80
PRKD2 Q9BZL6 2/20 0.80
PRKACA P17612 2/20 0.80
RIPK2 O43353 1/20 0.80
DYRK3 O43781 1/20 0.80
PRKCG P05129 1/20 0.80

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
SCHEMBL20550753 0.95 MAPK14 (0.91) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL29842083 0.92 MAPK14 (0.98) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL20550893 0.92 MAPK14 (0.98) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL20550876 0.92 MAPK14 (0.93) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL20550488 0.91 MAPK14 (1.00) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL12280165 0.91 MAPK14 (1.00) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL29453495 0.91 MAPK14 (1.00) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL4912960 0.90 MAPK14 (1.00) MAPK14CSNK1DMAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL20550765 0.90 MAPK14 (0.98) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL4916878 0.90 MAPK14 (0.82) MAPK14CSNK1DMAPK13MAPK12MAPK11

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0802908-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2001-04-11 EP disclosed
EP-0802908-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-29 EP disclosed
WO-1996021654-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-07-18 WO disclosed