SCHEMBL13893934

SCHEMBL13893934

Cc1ccc(C(=O)Cc2cccc(-c3cc(Nc4ccc(C(=O)NCCO)cn4)c(=O)[nH]n3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 3/20 0.45
GABRA5 P31644 1/20 0.39
TP53 P04637 1/20 0.39
PRKD1 Q15139 1/20 0.38
TYK2 P29597 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
GPR52 Q9Y2T5 3/20 0.37
PARP1 P09874 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
EGLN1 Q9GZT9 2/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35

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
SCHEMBL13893895 0.87 KDM4E (0.41) KDM4ELMNAPOLBMAPTGABRA5
SCHEMBL13893939 0.84 PRKD1 (0.41) KDM4ELMNAPOLBMAPTGABRA5
SCHEMBL13893937 0.84 PRKD1 (0.48) KDM4ELMNAPOLBMAPTGABRA5
SCHEMBL13893898 0.83 NAMPT (0.44) KDM4ELMNAPOLBMAPTGABRA5
SCHEMBL13893946 0.83 KDM4E (0.38) KDM4ELMNAPOLBMAPTGABRA5
SCHEMBL13894016 0.75 LMNA (0.42) KDM4ELMNAPOLBMAPTTP53
SCHEMBL13893953 0.75 NR1H4 (0.39) KDM4ELMNAPOLBMAPTGABRA5
SCHEMBL13894019 0.74 KDM4E (0.40) KDM4ELMNAPOLBMAPTTYK2
SCHEMBL13894017 0.73 LMNA (0.43) KDM4ELMNAPOLBMAPTTP53
SCHEMBL13893935 0.72 BTK (0.45) KDM4ELMNAPOLBMAPTTYK2

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