SCHEMBL7982582

SCHEMBL7982582

CNC(=N)c1ccc2nc(-c3[nH]nc(-c4ccccc4)c3O)[nH]c2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.76
F9 P00740 4/20 0.76
F11 P03951 3/20 0.76
F7 P08709 3/20 0.76
PLAU P00749 5/20 0.49
PRSS1 P07477 5/20 0.49
F2 P00734 5/20 0.47
PLG P00747 4/20 0.47
PLAT P00750 4/20 0.47
CHEK2 O96017 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43

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
SCHEMBL7973776 0.86 F10 (1.00) F10F9F11F7PLAU
SCHEMBL16258936 0.85 F10 (0.76) F10F9F11F7PLAU
SCHEMBL7972717 0.80 F9 (0.77) F10F9F11F7CHEK2
SCHEMBL7978435 0.78 F10 (0.83) F10F9F11F7PLAU
SCHEMBL7978212 0.76 F9 (0.65) F10F9F11F7CHEK2
SCHEMBL7974859 0.76 F9 (0.68) F10F9F11F7PLAU
SCHEMBL7959410 0.75 F10 (0.79) F10F9F11F7PLAU
SCHEMBL10139860 0.75 F9 (0.69) F10F9F11F7CHEK2
SCHEMBL7972721 0.74 CHEK2 (0.67) F10F9F11F7CHEK2
SCHEMBL10140089 0.74 PLAU (0.48) F10F9F11F7PLAU

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-2805939-B1 Heterocyclic compounds as factor IXA inhibitors. MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
EP-2805939-A1 Heterocyclic compounds as factor IXA inhibitors. Merck Sharp & Dohme Corp. (US) 2014-11-26 EP disclosed
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed