SCHEMBL581191

SCHEMBL581191

CNc1cc(-c2cccnc2Oc2ccc(Nc3nnc(-c4cccc(Cl)c4)c4ccccc34)cn2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 4/20 0.48
▸ AURKB Q96GD4 3/20 0.48
▸ TPX2 Q9ULW0 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.43
▸ PDE5A O76074 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PDE1A P54750 1/20 0.43
▸ PDE1B Q01064 1/20 0.43
▸ PDE3B Q13370 1/20 0.43
▸ PDE1C Q14123 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL581902 0.90 AURKA (0.60) AURKAAURKBTPX2PDE10AULK1
SCHEMBL581142 0.88 AURKA (0.59) AURKAAURKBTPX2PDE10AULK1
SCHEMBL581147 0.86 AURKA (0.43) AURKAAURKBTPX2PDE10AULK1
SCHEMBL581228 0.84 AURKA (0.46) AURKAAURKBTPX2PDE10AULK1
SCHEMBL581018 0.84 AURKA (0.58) AURKAAURKBTPX2PDE10AULK1
SCHEMBL581414 0.81 AURKA (0.62) AURKAAURKBTPX2PDE10AULK1
SCHEMBL580426 0.81 AURKA (0.71) AURKAAURKBTPX2PDE10AULK1
SCHEMBL581213 0.80 AURKA (0.51) AURKAAURKBTPX2KDM4EPDE5A
SCHEMBL580472 0.80 AURKA (0.59) AURKAAURKBTPX2PDE10AULK1
SCHEMBL581155 0.79 AURKA (0.42) AURKAAURKBTPX2PDE10AKDR

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
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