SCHEMBL7972318

SCHEMBL7972318

C=C(N)c1ccc2nc(-c3c(O)c(-c4ccc(-c5ccccn5)cc4)nn3C)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.56
F10 P00742 4/20 0.50
F7 P08709 3/20 0.50
F2 P00734 1/20 0.50
SCD O00767 1/20 0.45
PDE10A Q9Y233 2/20 0.44
METAP2 P50579 4/20 0.44
CBFB Q13951 3/20 0.44
F9 P00740 3/20 0.44
F11 P03951 3/20 0.44
METAP1 P53582 2/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
PKM P14618 2/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL10140010 0.91 F10 (0.63) CHEK2F10F7F2F9
SCHEMBL7971019 0.81 F10 (0.43) CHEK2F10F7F2F9
SCHEMBL7971691 0.80 CHEK2 (0.40) CHEK2F10F7F2F9
SCHEMBL7975521 0.79 F10 (0.63) CHEK2F10F7F2F9
SCHEMBL10139933 0.79 CHEK2 (0.67) CHEK2
SCHEMBL7969435 0.79 CHEK2 (0.65) CHEK2F10F7F9F11
SCHEMBL10139891 0.77 CHEK2 (0.69) CHEK2F10F9F11
SCHEMBL7976986 0.76 CHEK2 (0.53) CHEK2F10F7F9F11
SCHEMBL10140008 0.76 F10 (0.57) F10F7F2F9F11
SCHEMBL10139901 0.75 F10 (0.54) F10F7F2F9F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed