SCHEMBL20344653

SCHEMBL20344653

CNC(=O)c1cc(Cc2ccc(Br)cc2)[nH]n1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.54
CCNA2 P20248 3/20 0.46
CDK2 P24941 3/20 0.46
CCNA1 P78396 3/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
ITK Q08881 1/20 0.42
RIPK1 Q13546 3/20 0.42
HRH3 Q9Y5N1 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL21156317 0.88 HCAR2 (0.54) HCAR2ITKRIPK1NPC1ALDH1A1
SCHEMBL20344446 0.87 HCAR2 (0.72) HCAR2ITKRIPK1
SCHEMBL15964773 0.83 HCAR2 (0.77) HCAR2
SCHEMBL15964857 0.82 HCAR2 (0.56) HCAR2CCNA2CDK2CCNA1KMT2A
SCHEMBL23189233 0.81 HCAR2 (0.52) HCAR2CCNA2CDK2CCNA1HRH3
SCHEMBL15964750 0.79 PDE3B (0.51) HCAR2KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL16979044 0.78 HCAR2 (0.66) HCAR2CCNA2CDK2CCNA1ALDH1A1
SCHEMBL8053488 0.76 HCAR2 (0.46) HCAR2MAPT
SCHEMBL20344646 0.73 HCAR2 (0.47) HCAR2CDK2
SCHEMBL15964772 0.73 HCAR2 (0.74) HCAR2

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-3342771-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-11-25 EP disclosed
EP-3375780-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-06-03 EP disclosed
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