SCHEMBL4411447

SCHEMBL4411447

CS(=O)(=O)NCCNC(=O)c1nc2nc(Nc3ccc4c(c3)OC(CO)CO4)ncc2cc1-c1ccccc1Br

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.34
MAPK10 P53779 1/20 0.34
TNK2 Q07912 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
SYK P43405 1/20 0.31
RAB9A P51151 1/20 0.30
STK17A Q9UEE5 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL4414469 0.89 JUN (0.33) JUNMAPK10TNK2SYK
SCHEMBL4420521 0.86 TNK2 (0.36) JUNMAPK10TNK2SYKLMNA
SCHEMBL4423212 0.68 CNR2 (0.39) SYKRAB9ALMNA
SCHEMBL4413379 0.68 PTK2 (0.44)
SCHEMBL4412949 0.67 IKBKB (0.45) SYKMAPT
SCHEMBL4417185 0.67 PTK2 (0.40) MAPK10SYK
SCHEMBL4424495 0.67 MET (0.34)
SCHEMBL4420608 0.67 CDK4 (0.44)
SCHEMBL4414503 0.67 RIPK2 (0.49) SYKSTK17A
SCHEMBL4417053 0.67 MAPK10 (0.38) MAPK10SYKSTK17A

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 2 patents. 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
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 disclosed