SCHEMBL3827680

SCHEMBL3827680

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-n1c(C)c2cnc(Nc3cccc(N)c3)nc2nc1=O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 13/20 0.62
LCK P06239 5/20 0.62
BLK P51451 2/20 0.62
TNK2 Q07912 3/20 0.56
MAP4K2 Q12851 3/20 0.56
ABL1 P00519 3/20 0.56
BMX P51813 2/20 0.53
BCR P11274 1/20 0.53
RIPK1 Q13546 1/20 0.53
RIPK3 Q9Y572 1/20 0.53
SYK P43405 2/20 0.53
SRC P12931 1/20 0.52
DDR1 Q08345 1/20 0.52
MAPK14 Q16539 1/20 0.52
DDR2 Q16832 1/20 0.52
JAK2 O60674 1/20 0.52

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
SCHEMBL3825562 0.93 TNK2 (0.55) BTKLCKBLKTNK2MAP4K2
SCHEMBL3829290 0.93 TNK2 (0.63) BTKLCKBLKTNK2MAP4K2
SCHEMBL3831916 0.92 TNK2 (0.55) BTKLCKBLKTNK2MAP4K2
SCHEMBL3832162 0.91 TNK2 (0.54) BTKLCKBLKTNK2MAP4K2
SCHEMBL3830962 0.91 CSF1R (0.57) BTKLCKBLKTNK2MAP4K2
SCHEMBL3827671 0.90 TNK2 (0.56) BTKLCKBLKTNK2MAP4K2
SCHEMBL3827885 0.90 TNK2 (0.55) BTKLCKTNK2MAP4K2ABL1
SCHEMBL3829172 0.90 TNK2 (0.52) BTKLCKBLKTNK2MAP4K2
SCHEMBL3827773 0.90 BTK (0.52) BTKLCKBLKTNK2MAP4K2
SCHEMBL3829301 0.90 BTK (0.55) BTKLCKBLKTNK2MAP4K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651648-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-09-02 EP claimed
JP-2007500725-A 2007-01-18 JP claimed
EP-1651648-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-03 EP claimed
WO-2005011597-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-02-10 WO claimed
EP-1651648-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-09-02 EP disclosed
EP-1899344-A1 COMPOUNDS THAT MAINTAIN PLURIPOTENCY OF EMBRYONIC STEM CELLS IRM, LLC (BM) 2008-03-19 EP disclosed
WO-2006135824-A1 COMPOUNDS THAT MAINTAIN PLURIPOTENCY OF EMBRYONIC STEM CELLS IRM LLC (BM) 2006-12-21 WO disclosed
EP-1651648-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-03 EP disclosed
WO-2005011597-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-02-10 WO disclosed