SCHEMBL3824381

SCHEMBL3824381

CCNc1ncc2c(CCc3ccccn3)n(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)cc(OC)c3)c(=O)nc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.44
BTK Q06187 3/20 0.44
MAPT P10636 10/20 0.42
KDM4E B2RXH2 6/20 0.42
MAPK1 P28482 2/20 0.42
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BRAF P15056 2/20 0.39
RAF1 P04049 1/20 0.39
POLB P06746 1/20 0.39
LYN P07948 1/20 0.39
HCK P08631 1/20 0.39
SRC P12931 1/20 0.39
KDR P35968 1/20 0.39
CSF1R P07333 1/20 0.38
DAPK1 P53355 1/20 0.38
NPC1 O15118 1/20 0.38
MDM2 Q00987 1/20 0.38
HKDC1 Q2TB90 1/20 0.38

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
SCHEMBL3825184 0.91 BTK (0.45) LCKBTKMAPTKDM4EMAPK1
SCHEMBL3825126 0.90 BTK (0.49) LCKBTKMAPTKDM4EMAPK1
SCHEMBL3827191 0.86 BTK (0.52) LCKBTKMAPTKDM4EMAPK1
SCHEMBL3832068 0.85 LCK (0.49) LCKBTKBRAFRAF1SRC
SCHEMBL3828846 0.83 BTK (0.44) LCKBTKMAPTKDM4EMAPK1
SCHEMBL3825040 0.82 BTK (0.49) LCKBTKMAPTKDM4EMAPK1
SCHEMBL3830492 0.81 BTK (0.46) LCKBTKMAPTKDM4EMAPK1
SCHEMBL3825185 0.81 LCK (0.44) LCKBTKMAPTKDM4EMAPK1
SCHEMBL3830881 0.81 BTK (0.49) LCKBTKMAPTKDM4EMAPK1
SCHEMBL3824777 0.81 MAPT (0.48) LCKBTKMAPTKDM4EMAPK1

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