SCHEMBL2148403

SCHEMBL2148403

Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](Nc5cccc(F)c5)[C@@H](O)C4)cc3)nc3cccn23)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.56
AURKB Q96GD4 20/20 0.56
AURKC Q9UQB9 1/20 0.46

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
SCHEMBL2148691 0.85 AURKA (0.65) AURKAAURKBAURKC
SCHEMBL2148608 0.85 AURKA (0.73) AURKAAURKB
SCHEMBL2148590 0.84 AURKA (0.55) AURKAAURKBAURKC
SCHEMBL2146393 0.83 AURKA (0.72) AURKAAURKBAURKC
SCHEMBL2148752 0.83 AURKA (0.59) AURKAAURKB
SCHEMBL2161525 0.83 AURKA (0.73) AURKAAURKBAURKC
SCHEMBL2224220 0.83 AURKA (0.69) AURKAAURKB
SCHEMBL2171510 0.83 AURKA (0.69) AURKAAURKB
SCHEMBL2152927 0.81 AURKA (0.65) AURKAAURKB
SCHEMBL2169570 0.81 AURKA (0.64) AURKAAURKB

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-2011088045-A1 AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE AMBIT BIOSCIENCES CORPORATION (US) 2011-07-21 WO disclosed