SCHEMBL3830993

SCHEMBL3830993

CCc1c2cnc(Nc3cccc(N(C)C)c3)nc2nc(=O)n1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 15/20 0.49
LCK P06239 8/20 0.49
BLK P51451 3/20 0.44
CSF1R P07333 1/20 0.42
DAPK1 P53355 1/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.41
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
TEC P42680 1/20 0.40
TXK P42681 1/20 0.40
BMX P51813 1/20 0.40
JAK3 P52333 1/20 0.40
ERBB4 Q15303 1/20 0.40

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 0.90 BTK (0.49) BTKLCKBLKCSF1RDAPK1
SCHEMBL3825451 0.89 BTK (0.51) BTKLCKBLKCSF1RDAPK1
SCHEMBL3825126 0.88 BTK (0.49) BTKLCKBLKCSF1RDAPK1
SCHEMBL3830492 0.86 BTK (0.46) BTKLCKBLKCSF1RDAPK1
SCHEMBL3824944 0.86 BTK (0.46) BTKLCKBLKCSF1RDAPK1
SCHEMBL3829780 0.86 BTK (0.47) BTKLCKBLKCSF1RDAPK1
SCHEMBL3824777 0.86 MAPT (0.48) BTKLCKCSF1RMAPTGAA
SCHEMBL3824862 0.85 BTK (0.53) BTKLCKBLKBMX
SCHEMBL3829466 0.85 CSF1R (0.61) LCKCSF1RDAPK1JAK3
SCHEMBL3830881 0.85 BTK (0.49) BTKLCKCSF1RDAPK1MAPT

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 4 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