SCHEMBL13894016

SCHEMBL13894016

Cc1ccc(C(=O)Nc2cccc(-c3cc(Nc4ccc(C(=O)NCCO)cn4)c(=O)[nH]n3)c2C)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
BTK Q06187 2/20 0.39
KDR P35968 1/20 0.39
MAPT P10636 2/20 0.37
TYK2 P29597 2/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
PARP1 P09874 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GPR52 Q9Y2T5 3/20 0.36
CD274 Q9NZQ7 5/20 0.36
PDCD1 Q15116 4/20 0.36

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
SCHEMBL13894017 0.84 LMNA (0.43) LMNAKDM4EPOLBBTKMAPT
SCHEMBL13894014 0.82 BTK (0.46) LMNAKDM4EPOLBBTKTYK2
SCHEMBL13894015 0.80 BTK (0.46) LMNAKDM4EBTKMAPTPARP1
SCHEMBL13894021 0.80 BTK (0.39) LMNAKDM4EPOLBBTKTYK2
SCHEMBL13894019 0.78 KDM4E (0.40) LMNAKDM4EPOLBBTKMAPT
SCHEMBL13893953 0.78 NR1H4 (0.39) LMNAKDM4EPOLBBTKMAPT
SCHEMBL13893935 0.78 BTK (0.45) LMNAKDM4EPOLBBTKMAPT
SCHEMBL13893892 0.75 BTK (0.52) BTKHPGD
SCHEMBL13893934 0.75 KDM4E (0.47) LMNAKDM4EPOLBMAPTTYK2
SCHEMBL13893891 0.75 BTK (0.61) KDM4EBTKTYK2RAB9A

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-2009053269-A1 NOVEL KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed