SCHEMBL3658579

SCHEMBL3658579

Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1c[nH]c(=O)c(CNC(=O)NCCO)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.55
KIT P10721 1/20 0.44
SRC P12931 1/20 0.44
FLT3 P36888 1/20 0.44
ITK Q08881 1/20 0.44
BMX P51813 1/20 0.43
PPARG P37231 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
PDCD1 Q15116 2/20 0.40
CD274 Q9NZQ7 2/20 0.40
DHPS P49366 2/20 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
SCHEMBL171471 0.80 BTK (0.67) BTKKITSRCFLT3ITK
SCHEMBL3870962 0.80 BTK (0.70) BTKKITSRCFLT3ITK
SCHEMBL3953323 0.78 BTK (0.51) BTKKITSRCFLT3ITK
SCHEMBL3658577 0.77 BTK (0.53) BTKBMXPPARGNR1H4RAB9A
SCHEMBL171935 0.77 BTK (0.59) BTKKITSRCFLT3ITK
SCHEMBL104236 0.76 BTK (0.84) BTK
SCHEMBL3957050 0.75 BTK (0.55) BTKSRCFLT3ITKBMX
SCHEMBL3960170 0.74 BTK (0.56) BTKKITSRCFLT3ITK
SCHEMBL3958013 0.74 BTK (0.46) BTKKITSRCFLT3ITK
SCHEMBL171445 0.73 BTK (0.48) BTKKITSRCFLT3ITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205564-A1 NOVEL KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
WO-2009053269-A1 NOVEL KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed