SCHEMBL4414469

SCHEMBL4414469

CS(=O)(=O)NCCNC(=O)Oc1nc2nc(Nc3ccc4c(c3)OC(CO)CO4)ncc2cc1-c1ccccc1Br

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.33
MAPK10 P53779 1/20 0.33
TNK2 Q07912 1/20 0.32
SYK P43405 1/20 0.31
PTK2 Q05397 2/20 0.31
ULK1 O75385 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4411447 0.89 JUN (0.34) JUNMAPK10TNK2SYK
SCHEMBL4423212 0.81 CNR2 (0.39) SYKPTK2TSHR
SCHEMBL4420521 0.80 TNK2 (0.36) JUNMAPK10TNK2SYK
SCHEMBL4420608 0.79 CDK4 (0.44)
SCHEMBL4424495 0.79 MET (0.34)
SCHEMBL4416334 0.75 IKBKB (0.42) SYK
SCHEMBL4415084 0.74 MAPK10 (0.36) MAPK10PTK2ULK1
SCHEMBL4412920 0.74 MAPK10 (0.36) MAPK10PTK2ULK1
SCHEMBL4413502 0.73 CDK1 (0.36) SYKPTK2
SCHEMBL4413555 0.73 BRAF (0.38) MAPK10SYK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615921-B1 PYRIDO 2,3-D PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-03-18 EP claimed