SCHEMBL3830896

SCHEMBL3830896

C=Cc1ccc(Nc2ncc3c(C)n(-c4cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc4C)c(=O)nc3n2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMX P51813 4/20 0.53
TNK2 Q07912 4/20 0.53
MAP4K2 Q12851 4/20 0.53
ABL1 P00519 2/20 0.53
BCR P11274 1/20 0.53
RIPK1 Q13546 1/20 0.53
RIPK3 Q9Y572 1/20 0.53
JAK2 O60674 5/20 0.52
BTK Q06187 7/20 0.51
BLK P51451 2/20 0.51
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51
TEC P42680 1/20 0.51
TXK P42681 1/20 0.51
JAK3 P52333 1/20 0.51
ERBB4 Q15303 1/20 0.51
LCK P06239 4/20 0.50
SRC P12931 3/20 0.50
SYK P43405 1/20 0.48
JAK1 P23458 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
SCHEMBL3831814 0.91 TNK2 (0.56) BMXTNK2MAP4K2ABL1BCR
SCHEMBL3827671 0.90 TNK2 (0.56) BMXTNK2MAP4K2ABL1BCR
SCHEMBL3829290 0.89 TNK2 (0.63) BMXTNK2MAP4K2ABL1BCR
SCHEMBL3825189 0.89 TNK2 (0.54) BMXTNK2MAP4K2ABL1BCR
SCHEMBL3830962 0.89 CSF1R (0.57) BMXTNK2MAP4K2ABL1BCR
SCHEMBL3827885 0.89 TNK2 (0.55) BMXTNK2MAP4K2ABL1BCR
SCHEMBL3824774 0.88 SRC (0.63) BMXTNK2MAP4K2ABL1BCR
SCHEMBL3827877 0.88 TNK2 (0.56) BMXTNK2MAP4K2ABL1BCR
SCHEMBL3825109 0.88 TNK2 (0.54) BMXTNK2MAP4K2ABL1BCR
SCHEMBL3832162 0.87 TNK2 (0.54) BMXTNK2MAP4K2ABL1BCR

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