SCHEMBL3825482

SCHEMBL3825482

CCc1c2cnc(Nc3cc(C)nn3C)nc2nc(=O)n1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 2/20 0.50
MAP4K2 Q12851 2/20 0.50
MAPK3 P27361 1/20 0.50
BTK Q06187 11/20 0.49
LCK P06239 7/20 0.45
ADCY8 P40145 1/20 0.43
ADCY1 Q08828 1/20 0.43
CSF1R P07333 2/20 0.40
DAPK1 P53355 1/20 0.40
BLK P51451 1/20 0.40
ABL1 P00519 2/20 0.40
FYN P06241 1/20 0.40
LYN P07948 1/20 0.40
SRC P12931 1/20 0.40
KDR P35968 1/20 0.40
MAPK9 P45984 1/20 0.40
TEK Q02763 1/20 0.40
MAPK14 Q16539 1/20 0.40
BCR P11274 1/20 0.40
BMX P51813 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
SCHEMBL3825451 0.90 BTK (0.51) TNK2MAP4K2BTKLCKCSF1R
SCHEMBL3825126 0.89 BTK (0.49) BTKLCKCSF1RDAPK1BLK
SCHEMBL3824944 0.88 BTK (0.46) TNK2MAP4K2BTKLCKCSF1R
SCHEMBL3829780 0.88 BTK (0.47) TNK2MAP4K2BTKLCKCSF1R
SCHEMBL3825146 0.87 BTK (0.44) BTKLCKCSF1RDAPK1BLK
SCHEMBL3825040 0.87 BTK (0.49) BTKLCKCSF1RDAPK1BLK
SCHEMBL3830492 0.86 BTK (0.46) TNK2MAP4K2BTKLCKCSF1R
SCHEMBL3830993 0.85 BTK (0.49) BTKLCKCSF1RDAPK1BLK
SCHEMBL3824777 0.85 MAPT (0.48) TNK2MAP4K2BTKLCKCSF1R
SCHEMBL3830881 0.85 BTK (0.49) TNK2MAP4K2BTKLCKCSF1R

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