SCHEMBL4756460

SCHEMBL4756460

O=C(O)N1CCN(Cc2ccc(-c3nc4c(N5CCN(Cc6ccc(C(F)(F)F)nc6)CC5)c(Br)cnc4[nH]3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AURKA O14965 17/20 0.43
PPARD Q03181 1/20 0.40
KIT P10721 1/20 0.39
SLC2A1 P11166 1/20 0.39
KDR P35968 1/20 0.37
AURKB Q96GD4 1/20 0.37

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
SCHEMBL13985472 0.90 AURKA (0.42) AURKAPPARD
SCHEMBL209563 0.88 AURKA (0.57) AURKA
SCHEMBL4754664 0.88 AURKA (0.56) AURKAKDRAURKB
SCHEMBL13985741 0.86 AURKA (0.43) AURKAPPARD
SCHEMBL4757722 0.86 AURKA (0.49) AURKA
SCHEMBL212793 0.85 AURKA (0.59) AURKAKDRAURKB
SCHEMBL212761 0.85 AURKA (0.57) AURKA
SCHEMBL13985714 0.85 AURKA (0.51) AURKA
SCHEMBL208764 0.85 AURKA (0.51) AURKA
SCHEMBL13985671 0.85 AURKA (0.48) 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