SCHEMBL1870362

SCHEMBL1870362

Cc1cc2ncc(C=O)n2cc1Br

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 2/20 0.32
PIK3CD O00329 1/20 0.32
DYRK3 O43781 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK2 P24941 1/20 0.32
FLT3 P36888 1/20 0.32
PIK3CA P42336 1/20 0.32
CSNK1E P49674 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
GSK3B P49841 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CDK5 Q00535 1/20 0.32
DYRK1A Q13627 1/20 0.32
MELK Q14680 1/20 0.32
CDK5R1 Q15078 1/20 0.32
DYRK2 Q92630 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32

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
SCHEMBL12097697 0.82 CYP2A6 (0.38)
SCHEMBL25384458 0.80 PRKDC (0.39) PIK3CA
SCHEMBL19781784 0.78 TRPA1 (0.34) TRPA1ALDH1A1
SCHEMBL407720 0.75 TRPA1 (0.33) TRPA1
SCHEMBL23726938 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3707769 0.71 CYP1A2 (0.53) ALDH1A1
SCHEMBL1865755 0.71 MAP3K14 (0.43) PIK3CBPIK3CDDYRK3CCNT1CDK2
SCHEMBL12097947 0.71 CYP2A6 (0.43)
SCHEMBL1865829 0.71 L3MBTL1 (0.42) TRPA1ALDH1A1
SCHEMBL31646997 0.71 SCN5A (0.40) FLT3TRPA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-8741932-B2 Imidazopyridine derivatives Piramal Enterprises Limited (IN) 2014-06-03 US disclosed
WO-2011055320-A1 IMIDAZOPYRIDINE DERIVATIVES PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-05-12 WO disclosed