SCHEMBL13985472

SCHEMBL13985472

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

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.42
PPARD Q03181 1/20 0.41
TBK1 Q9UHD2 6/20 0.40
PRMT5 O14744 1/20 0.39
GNRHR P30968 1/20 0.39

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
SCHEMBL13985741 0.96 AURKA (0.43) AURKAPPARDTBK1
SCHEMBL4756460 0.90 AURKA (0.43) AURKAPPARD
SCHEMBL4754628 0.89 TBK1 (0.40) AURKAPPARDTBK1
SCHEMBL210953 0.88 AURKA (0.54) AURKATBK1GNRHR
SCHEMBL13985647 0.87 AURKA (0.51) AURKATBK1
SCHEMBL13985729 0.86 TBK1 (0.44) AURKATBK1GNRHR
SCHEMBL212761 0.85 AURKA (0.57) AURKA
SCHEMBL210870 0.84 AURKA (0.42) AURKATBK1
SCHEMBL209563 0.84 AURKA (0.57) AURKA
SCHEMBL4754616 0.84 PPARD (0.40) AURKAPPARDTBK1PRMT5GNRHR

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