SCHEMBL3830835

SCHEMBL3830835

CCNc1ncc2c(CC)n(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)c(=O)nc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.59
BTK Q06187 5/20 0.59
TNK2 Q07912 9/20 0.53
MAP4K2 Q12851 9/20 0.53
ABL1 P00519 3/20 0.49
BRAF P15056 2/20 0.49
RAF1 P04049 1/20 0.49
MAPK3 P27361 1/20 0.48
BMX P51813 2/20 0.48
BCR P11274 1/20 0.48
RIPK1 Q13546 1/20 0.48
RIPK3 Q9Y572 1/20 0.48
EPHB4 P54760 2/20 0.48
SRC P12931 2/20 0.48
FES P07332 1/20 0.48
RET P07949 1/20 0.48
PDGFRB P09619 1/20 0.48
KIT P10721 1/20 0.48
FGFR1 P11362 1/20 0.48
PDGFRA P16234 1/20 0.48

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
SCHEMBL3825888 0.93 LCK (0.54) LCKBTKTNK2MAP4K2ABL1
SCHEMBL3827753 0.88 TNK2 (0.51) LCKBTKTNK2MAP4K2ABL1
SCHEMBL3828971 0.88 TNK2 (0.52) LCKBTKTNK2MAP4K2ABL1
SCHEMBL3824862 0.88 BTK (0.53) LCKBTKTNK2MAP4K2ABL1
SCHEMBL3830726 0.85 TNK2 (0.64) LCKBTKTNK2MAP4K2ABL1
SCHEMBL3824916 0.84 TNK2 (0.52) LCKBTKTNK2MAP4K2ABL1
SCHEMBL3831595 0.84 LCK (0.54) LCKBTKTNK2MAP4K2ABL1
SCHEMBL3831458 0.84 TNK2 (0.52) LCKBTKTNK2MAP4K2ABL1
SCHEMBL3830906 0.84 TNK2 (0.52) LCKBTKTNK2MAP4K2ABL1
SCHEMBL3825126 0.84 BTK (0.49) LCKBTKBRAFRAF1BLK

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