SCHEMBL580465

SCHEMBL580465

N#Cc1cccc(-c2ccncc2)c1Oc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.49
AURKB Q96GD4 2/20 0.49
TPX2 Q9ULW0 2/20 0.49
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
ENPP3 O14638 2/20 0.43
KDR P35968 5/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 2/20 0.42
PDE5A O76074 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 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
SCHEMBL580548 0.85 AURKA (0.51) AURKAAURKBTPX2MAPTLMNA
SCHEMBL581552 0.84 AURKA (0.52) AURKAAURKBTPX2MAPTLMNA
SCHEMBL581677 0.82 AURKA (0.55) AURKAAURKBTPX2MAPTLMNA
SCHEMBL581165 0.80 AURKA (0.69) AURKAAURKBTPX2
SCHEMBL580535 0.77 AURKA (0.59) AURKAAURKBTPX2MAPTLMNA
SCHEMBL581019 0.76 AURKA (0.58) AURKAAURKBTPX2MAPTLMNA
SCHEMBL15809924 0.75 AURKA (0.52) AURKAAURKBTPX2MAPTLMNA
SCHEMBL580459 0.73 ENPP3 (0.51) AURKAAURKBTPX2MAPTLMNA
SCHEMBL581534 0.73 AURKA (0.59) AURKAAURKBTPX2MAPTLMNA
SCHEMBL17366294 0.72 AURKA (0.64) AURKAAURKBTPX2MAPTLMNA

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