SCHEMBL7980064

SCHEMBL7980064

CN1CCN(Cc2ccc(-c3n[nH]c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
FGFR1 P11362 4/20 0.48
FLT1 P17948 1/20 0.48
KDR P35968 7/20 0.46
CHEK1 O14757 1/20 0.46
KIT P10721 4/20 0.42
PARP1 P09874 1/20 0.42
F9 P00740 1/20 0.41
F10 P00742 1/20 0.41
F11 P03951 1/20 0.41
F7 P08709 1/20 0.41
RET P07949 1/20 0.41
FGFR2 P21802 2/20 0.40
FGFR3 P22607 2/20 0.40
PDGFRB P09619 1/20 0.39

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
SCHEMBL7975733 0.85 HDAC6 (0.49) GSK3BHDAC3HDAC1HDAC2HDAC8
SCHEMBL7975112 0.83 F9 (0.47) F9F10F11F7
SCHEMBL16258933 0.81 F9 (0.47) HDAC6FGFR1CHEK1F9F10
SCHEMBL7977818 0.78 F9 (0.48) F9F10F11F7
SCHEMBL7961555 0.78 HDAC3 (0.46) GSK3BHDAC3HDAC1HDAC2HDAC8
SCHEMBL7975727 0.77 HDAC6 (0.45) GSK3BHDAC3HDAC1HDAC2HDAC8
SCHEMBL7973330 0.77 F9 (0.44) PARP1F9F10F11F7
SCHEMBL7969289 0.77 F9 (0.48) F9F10F11F7RET
SCHEMBL7969287 0.77 F9 (0.46) CHEK1KITPARP1F9F10
SCHEMBL7977838 0.77 F10 (0.39) GSK3BPARP1F9F10F11

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