SCHEMBL3827892

SCHEMBL3827892

Cc1ccc(NC(=O)c2cc(N3CCOCC3)cc(C(F)(F)F)c2)cc1-n1c(C)c2cnc(N)nc2nc1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 3/20 0.56
MAP4K2 Q12851 3/20 0.56
CSF1R P07333 2/20 0.53
BRAF P15056 14/20 0.51
RAF1 P04049 13/20 0.51
MAPK14 Q16539 1/20 0.48
ABL1 P00519 1/20 0.47
LCK P06239 1/20 0.47
FES P07332 1/20 0.47
RET P07949 1/20 0.47
PDGFRB P09619 1/20 0.47
KIT P10721 1/20 0.47
FGFR1 P11362 1/20 0.47
SRC P12931 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT1 P17948 1/20 0.47
FGFR3 P22607 1/20 0.47
EPHA3 P29320 1/20 0.47
KDR P35968 1/20 0.47
BMX P51813 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
SCHEMBL3825775 0.92 TNK2 (0.56) TNK2MAP4K2CSF1RBRAFRAF1
SCHEMBL3829307 0.87 CSF1R (0.55) TNK2MAP4K2CSF1RBRAFABL1
SCHEMBL3830363 0.86 BRAF (0.51) TNK2MAP4K2CSF1RBRAFRAF1
SCHEMBL3831601 0.84 TNK2 (0.49) TNK2MAP4K2CSF1RBRAFMAPK14
SCHEMBL3824576 0.84 TNK2 (0.63) TNK2MAP4K2CSF1RBRAFMAPK14
SCHEMBL3831868 0.83 RAF1 (0.59) BRAFRAF1
SCHEMBL5176519 0.82 KMT2A (0.47)
SCHEMBL3134767 0.81 TNK2 (0.80) TNK2MAP4K2ABL1LCKFES
SCHEMBL3828822 0.79 BRAF (0.49) TNK2MAP4K2CSF1RBRAFRAF1
SCHEMBL3867200 0.79 LCK (0.56) TNK2MAP4K2BRAFRAF1MAPK14

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