SCHEMBL4757722

SCHEMBL4757722

OCCOc1ccc(-c2nc3c(N4CCN(Cc5ccc(C(F)(F)F)nc5)CC4)c(Br)cnc3[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AURKA O14965 19/20 0.49
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL13985718 0.91 AURKA (0.40) AURKAADORA2AADORA2BADORA1
SCHEMBL212761 0.90 AURKA (0.57) AURKAADORA2AADORA2BADORA1
SCHEMBL4757462 0.87 AURKA (0.60) AURKA
SCHEMBL209563 0.86 AURKA (0.57) AURKA
SCHEMBL4756460 0.86 AURKA (0.43) AURKA
SCHEMBL13985714 0.85 AURKA (0.51) AURKA
SCHEMBL208764 0.85 AURKA (0.51) AURKA
SCHEMBL13985671 0.85 AURKA (0.48) AURKA
SCHEMBL13985716 0.85 AURKA (0.62) AURKA
SCHEMBL13985472 0.83 AURKA (0.42) 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