SCHEMBL5256394

SCHEMBL5256394

O=c1ccc2c(-c3ccccc3F)nc(N(CO)CCO)nc2n1-c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.39
CLK2 P49760 1/20 0.39
DYRK1A Q13627 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
MAPK13 O15264 4/20 0.33
MAPK12 P53778 4/20 0.33
MAPK11 Q15759 4/20 0.33
MAPK14 Q16539 4/20 0.33
HSP90AA1 P07900 2/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL5738188 0.88 MAPK13 (0.41) PRKD3CLK2DYRK1APRKD2PIM2
SCHEMBL5256916 0.87 MAPK14 (0.37) PRKD3CLK2DYRK1APRKD2PIM2
SCHEMBL5739360 0.85 MAPK14 (0.41) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL5260056 0.85 MAPK14 (0.44) PRKD3CLK2DYRK1APRKD2PIM2
SCHEMBL5257300 0.85 RXFP1 (0.36) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5254308 0.84 PRKD3 (0.40) PRKD3CLK2DYRK1APRKD2PIM2
SCHEMBL5256386 0.82 PRKD3 (0.36) PRKD3CLK2DYRK1APRKD2PIM2
SCHEMBL5257500 0.81 MAPK11 (0.35) MAPK13MAPK12MAPK11MAPK14HSP90AA1
SCHEMBL5738335 0.81 MAPK13 (0.40) PRKD3CLK2DYRK1APRKD2PIM2
SCHEMBL5737454 0.80 MAPK14 (0.38) MAPK13MAPK12MAPK11MAPK14KCNH2

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-1333833-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-10-24 EP disclosed
EP-1333833-A2 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2003-08-13 EP disclosed
WO-2002059083-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-08-01 WO disclosed