SCHEMBL3829474

SCHEMBL3829474

CCN(CC)CCOc1ccc(Nc2ncc3c(C)n(-c4cc(NC(=O)c5cccc(C(F)(F)F)c5)cc(OC)c4)c(=O)nc3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.48
BTK Q06187 7/20 0.47
CSF1R P07333 2/20 0.45
DAPK1 P53355 1/20 0.45
ALK Q9UM73 1/20 0.45
SRC P12931 4/20 0.45
JAK2 O60674 1/20 0.45
WEE1 P30291 2/20 0.44
ABL1 P00519 2/20 0.43
BCR P11274 1/20 0.43
RIPK2 O43353 1/20 0.43
NOD2 Q9HC29 1/20 0.43
BLK P51451 1/20 0.42
FYN P06241 1/20 0.42
LYN P07948 1/20 0.42
KDR P35968 1/20 0.42
MAPK9 P45984 1/20 0.42
TEK Q02763 1/20 0.42
MAPK14 Q16539 1/20 0.42
SYK P43405 1/20 0.42

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
SCHEMBL3827830 0.89 LCK (0.54) LCKBTKALKSRCJAK2
SCHEMBL3827191 0.85 BTK (0.52) LCKBTKCSF1RDAPK1BLK
SCHEMBL3825382 0.85 LCK (0.51) LCKBTKKDRTEKMAPK14
SCHEMBL3825451 0.82 BTK (0.51) LCKBTKCSF1RDAPK1SRC
SCHEMBL3832182 0.82 MAPT (0.50) LCKBTKCSF1RSRCABL1
SCHEMBL3827768 0.81 LCK (0.44) LCKBTKCSF1RDAPK1ALK
SCHEMBL3130227 0.81 LCK (0.60) LCKSRCJAK2ABL1BCR
SCHEMBL3828976 0.81 LCK (0.43) LCKBTKCSF1RDAPK1ALK
SCHEMBL3825040 0.79 BTK (0.49) LCKBTKCSF1RDAPK1ABL1
SCHEMBL3830993 0.79 BTK (0.49) LCKBTKCSF1RDAPK1BLK

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 3 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 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