SCHEMBL7972817

SCHEMBL7972817

N/C(=N\O)c1ccc2[nH]c(-c3[nH]nc(-c4ccc(Cl)cc4)c3O)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.54
F10 P00742 1/20 0.54
F11 P03951 1/20 0.54
F7 P08709 1/20 0.54
CHEK2 O96017 14/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
THRB P10828 1/20 0.40
BRAF P15056 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
APP P05067 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
SNCA P37840 1/20 0.38
RAB9A P51151 1/20 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
SCHEMBL7976836 0.90 F10 (0.54) F9F10F11F7CHEK2
SCHEMBL20307774 0.88 F10 (0.67) F9F10F11F7CHEK2
SCHEMBL20307818 0.83 SIRT2 (0.46) F9F10F11F7CHEK2
SCHEMBL7959397 0.81 CHEK2 (0.68) F9F10F11F7CHEK2
SCHEMBL7978282 0.79 CHEK2 (0.56) F9F10F11F7CHEK2
SCHEMBL7972721 0.78 CHEK2 (0.67) F9F10F11F7CHEK2
SCHEMBL7960699 0.77 F10 (0.67) F9F10F11F7CHEK2
SCHEMBL7969187 0.77 F10 (0.67) F9F10F11F7
SCHEMBL17393379 0.77 CHEK2 (0.56) CHEK2MEN1KMT2ATHRBKDM4E
SCHEMBL17393611 0.77 CHEK2 (0.56) CHEK2MEN1KMT2ATHRBKDM4E

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