SCHEMBL4754664

SCHEMBL4754664

O=C(O)N1CCN(Cc2ccc(-c3nc4c(N5CCN(Cc6ccc(Cl)cc6)CC5)c(Br)cnc4[nH]3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AURKA O14965 19/20 0.56
KDR P35968 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL4789483 0.97 AURKA (0.55) AURKA
SCHEMBL4790505 0.90 AURKA (0.54) AURKA
SCHEMBL212793 0.89 AURKA (0.59) AURKAKDRAURKB
SCHEMBL4756460 0.88 AURKA (0.43) AURKAKDRAURKB
SCHEMBL208400 0.88 AURKA (0.60) AURKA
SCHEMBL4757483 0.87 AURKA (0.59) AURKA
SCHEMBL209796 0.87 AURKA (0.44) AURKAKDRAURKB
SCHEMBL208920 0.86 AURKA (0.74) AURKA
SCHEMBL4756080 0.86 AURKA (0.61) AURKAAURKB
SCHEMBL209623 0.86 AURKA (0.45) AURKA

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-2009001021-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES CHROMA THERAPEUTICS LTD. (GB) 2008-12-31 WO disclosed