SCHEMBL3825451

SCHEMBL3825451

CCc1c2cnc(Nc3ccc(C)nc3)nc2nc(=O)n1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 13/20 0.51
LCK P06239 11/20 0.51
ABL1 P00519 2/20 0.49
BMX P51813 2/20 0.49
BCR P11274 1/20 0.49
TNK2 Q07912 1/20 0.49
MAP4K2 Q12851 1/20 0.49
RIPK1 Q13546 1/20 0.49
RIPK3 Q9Y572 1/20 0.49
BLK P51451 2/20 0.45
CSF1R P07333 2/20 0.45
DAPK1 P53355 1/20 0.45
FYN P06241 1/20 0.43
LYN P07948 1/20 0.43
SRC P12931 1/20 0.43
KDR P35968 1/20 0.43
MAPK9 P45984 1/20 0.43
TEK Q02763 1/20 0.43
MAPK14 Q16539 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL3825040 0.93 BTK (0.49) BTKLCKABL1BCRBLK
SCHEMBL3829780 0.91 BTK (0.47) BTKLCKABL1BMXBCR
SCHEMBL3824944 0.91 BTK (0.46) BTKLCKABL1BMXBCR
SCHEMBL3830492 0.90 BTK (0.46) BTKLCKABL1BMXBCR
SCHEMBL3825126 0.90 BTK (0.49) BTKLCKBLKCSF1RDAPK1
SCHEMBL3825482 0.90 TNK2 (0.50) BTKLCKABL1BMXBCR
SCHEMBL3830993 0.89 BTK (0.49) BTKLCKBMXBLKCSF1R
SCHEMBL3829466 0.88 CSF1R (0.61) LCKABL1TNK2MAP4K2CSF1R
SCHEMBL3824777 0.87 MAPT (0.48) BTKLCKABL1BMXTNK2
SCHEMBL3830881 0.87 BTK (0.49) BTKLCKTNK2MAP4K2CSF1R

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 7 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-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