SCHEMBL580787

SCHEMBL580787

Fc1cnc(NCCCN2CCNCC2)nc1-c1cccnc1Oc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.51
AURKB Q96GD4 3/20 0.51
TPX2 Q9ULW0 2/20 0.51
CCND1 P24385 5/20 0.39
CDK6 Q00534 5/20 0.39
ACVR1 Q04771 1/20 0.39
ULK1 O75385 1/20 0.38
RPS6KA5 O75582 1/20 0.38
RPS6KA4 O75676 1/20 0.38
PRKD3 O94806 1/20 0.38
ABL1 P00519 1/20 0.38
FES P07332 1/20 0.38
RET P07949 1/20 0.38
BCR P11274 1/20 0.38
BRAF P15056 1/20 0.38
NQO2 P16083 1/20 0.38
MAP2K2 P36507 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 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
SCHEMBL581226 0.93 AURKA (0.52) AURKAAURKBTPX2ULK1RPS6KA5
SCHEMBL580888 0.93 AURKA (0.53) AURKAAURKBTPX2ULK1RPS6KA5
SCHEMBL581394 0.89 AURKB (0.66) AURKAAURKBTPX2ACVR1ULK1
SCHEMBL581674 0.82 AURKB (0.69) AURKAAURKBTPX2ULK1RPS6KA5
SCHEMBL580328 0.81 AURKA (0.54) AURKAAURKBTPX2ACVR1ULK1
SCHEMBL581203 0.81 AURKB (0.69) AURKAAURKBTPX2ACVR1ULK1
SCHEMBL580542 0.80 AURKB (0.63) AURKAAURKBTPX2ACVR1ULK1
SCHEMBL580466 0.79 AURKA (0.59) AURKAAURKBTPX2ULK1RPS6KA5
SCHEMBL580797 0.79 AURKB (0.55) AURKAAURKBTPX2ULK1RPS6KA5
SCHEMBL580766 0.78 AURKA (0.61) AURKAAURKBTPX2ULK1RPS6KA5

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