SCHEMBL3847836

SCHEMBL3847836

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(Nc3ccc(CCN4CCNCC4)cc3)nc2N(C)C1=O.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(Nc3cccc(CN4CCNCC4)c3)nc2N(C)C1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 16/20 0.72
MAP4K2 Q12851 16/20 0.72
ABL1 P00519 3/20 0.72
BMX P51813 5/20 0.67
BCR P11274 1/20 0.67
RIPK1 Q13546 1/20 0.67
RIPK3 Q9Y572 1/20 0.67
MAPK3 P27361 1/20 0.63
SRC P12931 2/20 0.62
LCK P06239 1/20 0.62
FES P07332 1/20 0.62
RET P07949 1/20 0.62
PDGFRB P09619 1/20 0.62
KIT P10721 1/20 0.62
FGFR1 P11362 1/20 0.62
PDGFRA P16234 1/20 0.62
FLT1 P17948 1/20 0.62
FGFR3 P22607 1/20 0.62
EPHA3 P29320 1/20 0.62
KDR P35968 1/20 0.62

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
SCHEMBL3139772 0.96 TNK2 (0.76) TNK2MAP4K2ABL1BMXBCR
SCHEMBL3139149 0.95 TNK2 (0.75) TNK2MAP4K2ABL1BMXBCR
SCHEMBL3132263 0.95 TNK2 (0.77) TNK2MAP4K2ABL1BMXBCR
SCHEMBL3135947 0.91 TNK2 (0.79) TNK2MAP4K2ABL1BMXBCR
SCHEMBL3134884 0.89 TNK2 (0.76) TNK2MAP4K2ABL1BMXBCR
SCHEMBL3137272 0.88 TNK2 (0.75) TNK2MAP4K2ABL1BMXBCR
SCHEMBL3135938 0.88 TNK2 (0.77) TNK2MAP4K2ABL1BMXBCR
SCHEMBL3143265 0.88 TNK2 (0.81) TNK2MAP4K2ABL1BMXBCR
SCHEMBL3139241 0.86 TNK2 (0.82) TNK2MAP4K2ABL1BMXBCR
SCHEMBL3144384 0.86 TNK2 (0.84) TNK2MAP4K2ABL1BMXBCR

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