SCHEMBL4012996

SCHEMBL4012996

CC(=O)C(I)=C1Sc2ccc(Br)cc2N1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
BCHE P06276 2/20 0.33
SLC6A3 Q01959 1/20 0.33
CASP2 P42575 1/20 0.33
HSD17B3 P37058 1/20 0.33
PDGFRA P16234 1/20 0.31
CDK5 Q00535 1/20 0.31
TYRO3 Q06418 1/20 0.31
PIM1 P11309 1/20 0.31
SETDB1 Q15047 1/20 0.31
CUL4A Q13619 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL4014357 0.82 CSNK1E (0.42) LMNAMAPTTDP1L3MBTL1MEN1
SCHEMBL4012474 0.76 HDAC3 (0.39) LMNAMEN1KMT2A
SCHEMBL4016943 0.72 DYRK1A (0.49) NOX1LMNAMAPTMAPK1TDP1
SCHEMBL4154294 0.72 DYRK1A (0.49) NOX1LMNAMAPTMAPK1TDP1
SCHEMBL19657873 0.68 MAPT (0.60) NOX1LMNAMAPTMAPK1TDP1
SCHEMBL1984394 0.68 NOX1 (0.70) NOX1LMNAMAPTMAPK1TDP1
SCHEMBL9395281 0.67 MAOA (0.68) NOX1LMNAMAPTMAPK1TDP1
SCHEMBL4708265 0.67 MAOA (0.42) NOX1LMNAMAPTMAPK1TDP1
SCHEMBL15274808 0.64 MAPT (0.52) NOX1LMNAMAPTMAPK1TDP1
SCHEMBL2170658 0.64 DYRK1A (0.61) LMNAMAPTL3MBTL1MEN1KMT2A

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-2009085226-A2 INHIBITORS OF CDC2-LIKE KINASES (CLKS) AND METHODS OF USE THEREOF SIRTRIS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed