SCHEMBL7976836

SCHEMBL7976836

Cc1ccc(-c2n[nH]c(-c3nc4cc(/C(N)=N/O)ccc4[nH]3)c2O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.54
F9 P00740 2/20 0.54
F11 P03951 2/20 0.54
F7 P08709 1/20 0.54
CHEK2 O96017 4/20 0.44
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
MAPK14 Q16539 1/20 0.41
MAPK1 P28482 2/20 0.40
MAP2K4 P45985 2/20 0.40
MAPKAPK2 P49137 2/20 0.40
MAPKAPK3 Q16644 2/20 0.40
MAPK6 Q16659 2/20 0.40
MAPKAPK5 Q8IW41 2/20 0.40
BRAF P15056 1/20 0.39
ALOX5 P09917 1/20 0.38
F2 P00734 2/20 0.38
PLG P00747 2/20 0.38
PLAU P00749 2/20 0.38
PRSS1 P07477 2/20 0.38

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
SCHEMBL7972817 0.90 F9 (0.54) F10F9F11F7CHEK2
SCHEMBL7960699 0.88 F10 (0.67) F10F9F11F7CHEK2
SCHEMBL1842124 0.83 CHEK2 (0.61) F10F9F11CHEK2CSNK1D
SCHEMBL10029168 0.83 CHEK2 (0.61) F10F9F11CHEK2CSNK1D
SCHEMBL10172686 0.81 CHEK2 (0.69) F10F9F11F7CHEK2
SCHEMBL20307797 0.80 F9 (0.47) F10F9F11F7CHEK2
SCHEMBL20307796 0.78 F9 (0.44) F10F9F11F7CHEK2
SCHEMBL20307818 0.78 SIRT2 (0.46) F10F9F11F7CHEK2
SCHEMBL7969187 0.77 F10 (0.67) F10F9F11F7F2
SCHEMBL20307774 0.77 F10 (0.67) F10F9F11F7CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805939-B1 Heterocyclic compounds as factor IXA inhibitors. MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed