SCHEMBL12840336

SCHEMBL12840336

O=C(CCl)NC1CCCN(c2ncnc3[nH]ccc23)C1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.73
TEC P42680 2/20 0.72
TXK P42681 2/20 0.72
BMX P51813 2/20 0.72
ITK Q08881 2/20 0.72
DOT1L Q8TEK3 1/20 0.66

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
SCHEMBL1531613 0.91 BTK (0.74) BTKTECTXKBMXITK
SCHEMBL10206475 0.88 BTK (0.76) BTKTECTXKBMXITK
SCHEMBL10207438 0.87 BTK (0.75) BTKTECTXKBMXITK
SCHEMBL10206330 0.86 BTK (0.74) BTKTECTXKBMXITK
SCHEMBL10206281 0.85 BTK (0.83) BTKTECTXKBMXITK
SCHEMBL1531612 0.85 BTK (0.85) BTKTECTXKBMXITK
SCHEMBL1531596 0.84 BTK (0.74) BTKTECTXKBMXITK
SCHEMBL1531487 0.84 BTK (0.74) BTKTECTXKBMXITK
SCHEMBL9929325 0.84 BTK (1.00) BTKTECTXKBMXITK
SCHEMBL1531541 0.84 BTK (1.00) BTKTECTXKBMXITK

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-2011029043-A1 HETEROARYL BTK INHIBITORS BIOGEN IDEC MA INC. (US) 2011-03-10 WO disclosed