SCHEMBL580464

SCHEMBL580464

CN1CCN(CCCNc2nccc(-c3cccnc3Oc3ccc(Nc4nnc(-c5ccccc5)c5ccccc45)cn3)n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.57
AURKB Q96GD4 5/20 0.57
TPX2 Q9ULW0 2/20 0.57
RET P07949 2/20 0.40
ULK1 O75385 1/20 0.40
RPS6KA5 O75582 1/20 0.40
RPS6KA4 O75676 1/20 0.40
PRKD3 O94806 1/20 0.40
ABL1 P00519 1/20 0.40
FES P07332 1/20 0.40
BCR P11274 1/20 0.40
BRAF P15056 1/20 0.40
NQO2 P16083 1/20 0.40
MAP2K2 P36507 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
MAP2K1 Q02750 1/20 0.40
TOP2B Q02880 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
SCHEMBL581145 0.94 AURKA (0.55) AURKAAURKBTPX2RETULK1
SCHEMBL580328 0.93 AURKA (0.54) AURKAAURKBTPX2RETULK1
SCHEMBL581203 0.91 AURKB (0.69) AURKAAURKBTPX2RETULK1
SCHEMBL15810117 0.88 AURKA (0.41) AURKAAURKBTPX2RETABL1
SCHEMBL580417 0.87 AURKA (0.60) AURKAAURKBTPX2RETULK1
SCHEMBL580936 0.87 AURKA (0.40) AURKAAURKBTPX2RETCDK4
SCHEMBL581455 0.86 AURKA (0.46) AURKAAURKBTPX2RETCDK4
SCHEMBL581674 0.85 AURKB (0.69) AURKAAURKBTPX2RETULK1
SCHEMBL581202 0.84 AURKB (0.59) AURKAAURKBTPX2RETULK1
SCHEMBL581394 0.84 AURKB (0.66) AURKAAURKBTPX2RETULK1

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-1984353-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2015-12-30 EP disclosed
EP-2418209-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-06-25 EP disclosed
EP-2418209-A1 Aurora kinase modulators and method of use Amgen Inc. (US) 2012-02-15 EP disclosed