SCHEMBL4789991

SCHEMBL4789991

CC(c1ccccc1)N1CCN(c2c(Br)cnc3[nH]c(-c4ccc(CN)cc4)nc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AURKA O14965 17/20 0.47
TRPC5 Q9UL62 1/20 0.39
ADORA2B P29275 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL209704 0.87 AURKA (0.53) AURKA
SCHEMBL208728 0.86 AURKA (0.47) AURKATRPC5ADORA2B
SCHEMBL4789994 0.85 AURKA (0.43) AURKATRPC5ADORA2BCYP2D6
SCHEMBL211374 0.83 AURKA (0.45) AURKATRPC5ADORA2B
SCHEMBL13985468 0.83 AURKA (0.41) AURKATRPC5
SCHEMBL16152483 0.81 AURKA (0.47) AURKATRPC5ADORA2B
SCHEMBL210746 0.80 AURKA (0.41) AURKA
SCHEMBL13985720 0.80 AURKA (0.48) AURKACYP2D6
SCHEMBL208160 0.79 AURKA (0.60) AURKA
SCHEMBL14495792 0.79 AURKA (0.48) AURKACYP2D6

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 2 patents. 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
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