SCHEMBL7975138

SCHEMBL7975138

CN(C)C(=N)c1ccc2nc(-c3c(O)c(-c4ccccc4)nn3C)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.50
F9 P00740 4/20 0.50
F11 P03951 3/20 0.50
F7 P08709 3/20 0.50
PLAU P00749 6/20 0.48
PRSS1 P07477 6/20 0.48
F2 P00734 6/20 0.47
PLG P00747 5/20 0.47
PLAT P00750 5/20 0.47
CHEK2 O96017 3/20 0.43
HPN P05981 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL10139876 0.88 HDAC6 (0.52) F10F9F11F7PLAU
SCHEMBL7975521 0.86 F10 (0.63) F10F9F11F7PLAU
SCHEMBL7976986 0.85 CHEK2 (0.53) F10F9F11F7CHEK2
SCHEMBL7969435 0.83 CHEK2 (0.65) F10F9F11F7CHEK2
SCHEMBL7976170 0.82 ITK (0.48) F10F9F11F7PDE10A
SCHEMBL10139808 0.82 P2RY6 (0.53) F10F9F11F7PDE10A
SCHEMBL10140064 0.82 F10 (0.46) F10F9F11F7PLAU
SCHEMBL7961686 0.82 CHEK2 (0.58) F10F9F11F7CHEK2
SCHEMBL10139933 0.82 CHEK2 (0.67) CHEK2
SCHEMBL7970842 0.81 NPC1 (0.55)

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