SCHEMBL7969419

SCHEMBL7969419

N#Cc1ccc2nc(-c3[nH]nc(-c4ccc(Cl)cc4)c3O)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.52
F10 P00742 1/20 0.52
F11 P03951 1/20 0.52
F7 P08709 1/20 0.52
PKN1 Q16512 1/20 0.49
PKN2 Q16513 1/20 0.49
CHEK2 O96017 5/20 0.47
RHEB Q15382 1/20 0.46
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
APP P05067 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 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
SCHEMBL10172741 0.90 F9 (0.53) F9F10F11F7PKN1
SCHEMBL7978212 0.89 F9 (0.65) F9F10F11F7PKN1
SCHEMBL20307763 0.84 CHEK2 (0.47) PKN1PKN2CHEK2RHEBMETAP2
SCHEMBL20307796 0.83 F9 (0.44) F9F10F11F7PKN1
SCHEMBL10139859 0.81 CHEK2 (0.64) F9F10F11F7PKN1
SCHEMBL3341423 0.81 PKN1 (0.72) PKN1PKN2CHEK2RHEBMETAP2
SCHEMBL7972721 0.80 CHEK2 (0.67) F9F10F11F7CHEK2
SCHEMBL7976096 0.80 CHEK2 (0.54) F9F10F11F7PKN1
SCHEMBL7959397 0.80 CHEK2 (0.68) F9F10F11F7CHEK2
SCHEMBL7971500 0.79 PTGDR2 (0.49) F9F10F11PKN1PKN2

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