SCHEMBL3827768

SCHEMBL3827768

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 8/20 0.44
BTK Q06187 3/20 0.44
MAPT P10636 7/20 0.41
KDR P35968 5/20 0.41
SRC P12931 4/20 0.41
INSR P06213 3/20 0.41
LYN P07948 3/20 0.41
HCK P08631 3/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TNK2 Q07912 1/20 0.40
MAP4K2 Q12851 1/20 0.40
MAPK14 Q16539 2/20 0.40
KDM4E B2RXH2 4/20 0.39
POLB P06746 1/20 0.39
FGFR1 P11362 2/20 0.39
FLT1 P17948 2/20 0.39
FGFR2 P21802 2/20 0.39

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
SCHEMBL3828976 0.98 LCK (0.43) LCKBTKMAPTKDRSRC
SCHEMBL3825126 0.90 BTK (0.49) LCKBTKMAPTGAAMAPK1
SCHEMBL3830666 0.87 LCK (0.57) LCKBTKKDRSRCMAPK14
SCHEMBL3828846 0.87 BTK (0.44) LCKBTKMAPTGAAMAPK1
SCHEMBL3824777 0.85 MAPT (0.48) LCKBTKMAPTKDRSRC
SCHEMBL3830881 0.85 BTK (0.49) LCKBTKMAPTGAAMAPK1
SCHEMBL3825451 0.84 BTK (0.51) LCKBTKMAPTKDRSRC
SCHEMBL3825040 0.84 BTK (0.49) LCKBTKMAPTMAPK1KDM4E
SCHEMBL3830993 0.84 BTK (0.49) LCKBTKMAPTGAAMAPK1
SCHEMBL3824944 0.83 BTK (0.46) LCKBTKMAPTKDRSRC

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