SCHEMBL3831040

SCHEMBL3831040

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-n1c(C)c2cnc(Nc3cncc(CN4CCOCC4)c3)nc2nc1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.53
SRC P12931 6/20 0.53
LCK P06239 2/20 0.51
MAPK14 Q16539 2/20 0.51
RAF1 P04049 6/20 0.48
BRAF P15056 6/20 0.48
TNK2 Q07912 5/20 0.48
MAP4K2 Q12851 5/20 0.48
ABL1 P00519 2/20 0.47
JAK1 P23458 1/20 0.47
BCR P11274 1/20 0.47
BMX P51813 1/20 0.47
RIPK1 Q13546 1/20 0.47
RIPK3 Q9Y572 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
SCHEMBL3832093 0.89 SRC (0.54) JAK2SRCLCKMAPK14RAF1
SCHEMBL3829420 0.89 LCK (0.55) JAK2SRCLCKMAPK14RAF1
SCHEMBL3824774 0.85 SRC (0.63) JAK2SRCLCKMAPK14BRAF
SCHEMBL3830962 0.84 CSF1R (0.57) JAK2SRCLCKMAPK14BRAF
SCHEMBL3873074 0.84 TNK2 (0.50) JAK2SRCLCKMAPK14RAF1
SCHEMBL3825487 0.84 JAK2 (0.54) JAK2SRCLCKTNK2MAP4K2
SCHEMBL3827877 0.84 TNK2 (0.56) JAK2SRCLCKBRAFTNK2
SCHEMBL3829290 0.84 TNK2 (0.63) JAK2SRCLCKTNK2MAP4K2
SCHEMBL3831876 0.83 JAK2 (0.51) JAK2SRCLCKTNK2MAP4K2
SCHEMBL3827885 0.83 TNK2 (0.55) JAK2SRCLCKTNK2MAP4K2

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