SCHEMBL13985706

SCHEMBL13985706

CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nc4c(N5CCN(Cc6cncc(F)c6)CC5)c(Br)cnc4[nH]3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.44
TBK1 Q9UHD2 8/20 0.42
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
FLT3 P36888 1/20 0.39
KCNH2 Q12809 1/20 0.39
GNRHR P30968 1/20 0.39
ALK Q9UM73 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
SCHEMBL13985729 0.96 TBK1 (0.44) AURKATBK1GNRHR
SCHEMBL211958 0.89 AURKA (0.52) AURKATBK1KCNH2GNRHRALK
SCHEMBL13985647 0.88 AURKA (0.51) AURKATBK1ALK
SCHEMBL4757746 0.87 TBK1 (0.51) AURKATBK1
SCHEMBL13985463 0.87 AURKA (0.42) AURKAKCNH2GNRHR
SCHEMBL13985741 0.86 AURKA (0.43) AURKATBK1ALK
SCHEMBL13985465 0.84 AURKA (0.51) AURKADRD2DRD4DRD3FLT3
SCHEMBL210953 0.84 AURKA (0.54) AURKATBK1KCNH2GNRHR
SCHEMBL4757466 0.84 AURKA (0.64) AURKAFLT3KCNH2
SCHEMBL211868 0.82 AURKA (0.48) AURKATBK1FLT3KCNH2

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