SCHEMBL3831458

SCHEMBL3831458

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 8/20 0.52
MAP4K2 Q12851 8/20 0.52
BTK Q06187 6/20 0.49
LCK P06239 6/20 0.49
BMX P51813 5/20 0.48
ABL1 P00519 3/20 0.48
BLK P51451 2/20 0.47
JAK3 P52333 2/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
TEC P42680 1/20 0.47
TXK P42681 1/20 0.47
ERBB4 Q15303 1/20 0.47
BCR P11274 1/20 0.47
RIPK1 Q13546 1/20 0.47
RIPK3 Q9Y572 1/20 0.47
EPHB4 P54760 2/20 0.47
KDR P35968 2/20 0.47
SRC P12931 2/20 0.47
FES P07332 1/20 0.47

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
SCHEMBL3830906 0.90 TNK2 (0.52) TNK2MAP4K2BTKLCKBMX
SCHEMBL3830726 0.90 TNK2 (0.64) TNK2MAP4K2BTKLCKBMX
SCHEMBL3824916 0.89 TNK2 (0.52) TNK2MAP4K2BTKLCKBMX
SCHEMBL3829290 0.87 TNK2 (0.63) TNK2MAP4K2BTKLCKBMX
SCHEMBL3825109 0.87 TNK2 (0.54) TNK2MAP4K2BTKLCKBMX
SCHEMBL3830896 0.86 BMX (0.53) TNK2MAP4K2BTKLCKBMX
SCHEMBL3827671 0.86 TNK2 (0.56) TNK2MAP4K2BTKLCKBMX
SCHEMBL3827719 0.86 TNK2 (0.55) TNK2MAP4K2BTKLCKBMX
SCHEMBL3827885 0.86 TNK2 (0.55) TNK2MAP4K2BTKLCKBMX
SCHEMBL3825174 0.85 ABL1 (0.52) TNK2MAP4K2BTKLCKBMX

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