SCHEMBL3829307

SCHEMBL3829307

Cc1ccc(NC(=O)c2cc(N3CCC(N(C)C)C3)cc(C(F)(F)F)c2)cc1-n1c(C)c2cnc(N)nc2nc1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 3/20 0.55
TNK2 Q07912 5/20 0.48
MAP4K2 Q12851 5/20 0.48
KDR P35968 5/20 0.45
PDGFRB P09619 3/20 0.45
ABL1 P00519 2/20 0.45
EPHB4 P54760 2/20 0.45
TEK Q02763 2/20 0.45
LCK P06239 2/20 0.45
SRC P12931 2/20 0.45
FES P07332 1/20 0.45
RET P07949 1/20 0.45
KIT P10721 1/20 0.45
FGFR1 P11362 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT1 P17948 1/20 0.45
FGFR3 P22607 1/20 0.45
EPHA3 P29320 1/20 0.45
BMX P51813 1/20 0.45
KARS1 Q15046 1/20 0.45

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
SCHEMBL3827892 0.87 TNK2 (0.56) CSF1RTNK2MAP4K2KDRPDGFRB
SCHEMBL3831601 0.84 TNK2 (0.49) CSF1RTNK2MAP4K2KDRPDGFRB
SCHEMBL3135987 0.82 TNK2 (0.69) CSF1RTNK2MAP4K2KDRPDGFRB
SCHEMBL3824576 0.81 TNK2 (0.63) CSF1RTNK2MAP4K2KDRPDGFRB
SCHEMBL3825775 0.79 TNK2 (0.56) CSF1RTNK2MAP4K2ABL1BRAF
SCHEMBL3139856 0.77 ABL1 (0.73) TNK2MAP4K2KDRPDGFRBABL1
SCHEMBL3825439 0.76 ABL1 (0.46) TNK2MAP4K2KDRPDGFRBABL1
SCHEMBL3866214 0.76 TNK2 (0.57) TNK2MAP4K2KDRPDGFRBABL1
SCHEMBL3830363 0.75 BRAF (0.51) CSF1RTNK2MAP4K2KDRPDGFRB
SCHEMBL3829526 0.73 TNK2 (0.65) TNK2MAP4K2KDRPDGFRBABL1

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