SCHEMBL2148608

SCHEMBL2148608

Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC(O)C(Oc5ccc(F)cc5)C4)cc3)nc3cccn23)n[nH]1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.73
AURKB Q96GD4 20/20 0.73

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
SCHEMBL2161525 0.92 AURKA (0.73) AURKAAURKB
SCHEMBL2146393 0.88 AURKA (0.72) AURKAAURKB
SCHEMBL2152927 0.87 AURKA (0.65) AURKAAURKB
SCHEMBL2148403 0.85 AURKA (0.56) AURKAAURKB
SCHEMBL2198808 0.84 AURKA (0.74) AURKAAURKB
SCHEMBL2146158 0.84 AURKA (0.74) AURKAAURKB
SCHEMBL2148590 0.84 AURKA (0.55) AURKAAURKB
SCHEMBL2148803 0.83 AURKA (0.63) AURKAAURKB
SCHEMBL2224220 0.83 AURKA (0.69) AURKAAURKB
SCHEMBL2171510 0.83 AURKA (0.69) 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