SCHEMBL28046023

SCHEMBL28046023

CC(=O)Cc1cc(Br)cnc1Cl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PLAU P00749 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RIPK1 Q13546 1/20 0.31
ALDH1A1 P00352 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL1922520 0.80 DPP4 (0.42) CYP3A4L3MBTL1KMT2AMAPTNPSR1
SCHEMBL25233643 0.80 ALDH1A1 (0.39) PLAUKMT2AMAPTALDH1A1NPSR1
SCHEMBL18497250 0.79 SETDB1 (0.47) L3MBTL1MAPTALDH1A1NPSR1POLB
SCHEMBL27842668 0.76 SIRT2 (0.34) L3MBTL1MAPK1ALDH1A1
SCHEMBL1543624 0.76 PDXK (0.46) PLAUMEN1KMT2AMAPTALDH1A1
SCHEMBL856508 0.74 KMT2A (0.37) PLAUMEN1KMT2AMAPTALDH1A1
SCHEMBL5046239 0.74 KMT2A (0.35) PLAUMEN1KMT2AMAPT
SCHEMBL31430877 0.74 KMT2A (0.37) PLAUMEN1KMT2AMAPTALDH1A1
SCHEMBL1600624 0.73 OPRK1 (0.42) PLAUMAPK1ALDH1A1PTGDR2HSD17B10
SCHEMBL21494415 0.72 PLAU (0.33) PLAUMEN1KMT2AMAPTALDH1A1

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
CN-105198881-A Synthesizing process of 5-bromo-3-methyl-1H-pyrazolo [3, 4-B] pyridine SHANGHAI TITAN TECHNOLOGY CO LTD 2015-12-30 CN disclosed