SCHEMBL15964650

SCHEMBL15964650

O=C1CCOc2ccc(Br)cc2N1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.49
AHR P35869 1/20 0.49
MMP12 P39900 1/20 0.45
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
BLM P54132 1/20 0.43
CHEK1 O14757 2/20 0.42
PARP1 P09874 2/20 0.42
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR3C2 P08235 2/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
MEN1 O00255 1/20 0.38
AKR1B1 P15121 1/20 0.38
PKM P14618 2/20 0.37

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
SCHEMBL30896836 1.00 CMA1 (0.49) CMA1AHRMMP12MAPTLMNA
SCHEMBL24720317 0.87 CMA1 (0.45) CMA1AHRMAPTLMNAHTT
SCHEMBL29452973 0.83 MMP12 (0.65) CMA1AHRMMP12MAPTLMNA
SCHEMBL299079 0.83 MMP12 (0.65) CMA1AHRMMP12MAPTLMNA
SCHEMBL13090978 0.80 MMP12 (0.71) MMP12MAPTCHEK1PARP1ALDH1A1
SCHEMBL2062623 0.80 CA9 (0.56) MMP12MAPTPARP1ALDH1A1KMT2A
SCHEMBL15964653 0.80 NR3C2 (0.49) MMP12MAPTPARP1NR3C2AKR1B1
SCHEMBL15964651 0.80 AHR (0.49) CMA1AHRMMP12MAPTCHEK1
SCHEMBL16976373 0.78 MMP12 (0.43) MMP12MAPTPARP1ALDH1A1KMT2A
SCHEMBL15964654 0.76 KIF11 (0.48) MMP12KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3508484-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-07-10 EP disclosed
EP-3342771-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2018-07-04 EP disclosed
EP-2956452-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-03-21 EP disclosed
WO-2014125444-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-08-21 WO disclosed