SCHEMBL13894019

SCHEMBL13894019

Cc1ccc2c(=O)n(-c3cccc(-c4cc(Nc5ccc(C(=O)NCCO)cn5)c(=O)[nH]n4)c3C)cnc2c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
BTK Q06187 13/20 0.36
TYK2 P29597 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL13893935 0.80 BTK (0.45) KDM4ELMNAPOLBPDCD1CD274
SCHEMBL13894016 0.78 LMNA (0.42) KDM4ELMNAPOLBPDCD1CD274
SCHEMBL13894014 0.75 BTK (0.46) KDM4ELMNAPOLBBTKTYK2
SCHEMBL13893934 0.74 KDM4E (0.47) KDM4ELMNAPOLBPDCD1CD274
SCHEMBL13894017 0.74 LMNA (0.43) KDM4ELMNAPOLBBTKTYK2
SCHEMBL13894021 0.73 BTK (0.39) KDM4ELMNAPOLBPDCD1CD274
SCHEMBL13893968 0.72 BTK (0.60) KDM4EBTKTYK2RAB9A
SCHEMBL13894015 0.69 BTK (0.46) KDM4ELMNABTKMAPTNPC1
SCHEMBL13893895 0.68 KDM4E (0.41) KDM4ELMNAPOLBTYK2JAK2
SCHEMBL13893939 0.67 PRKD1 (0.41) KDM4ELMNAPOLBTYK2JAK2

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