SCHEMBL4424495

SCHEMBL4424495

CS(=O)(=O)NCCNC(=O)Oc1nc2nc(Nc3cccc(SCCO)c3)ncc2cc1-c1ccccc1Br

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.34
ALK Q9UM73 1/20 0.34
GSK3A P49840 1/20 0.32
RIPK2 O43353 4/20 0.32
TBK1 Q9UHD2 3/20 0.32
ACVR1 Q04771 2/20 0.32
NOD2 Q9HC29 1/20 0.32
WEE1 P30291 2/20 0.32
PKMYT1 Q99640 1/20 0.31
MAPK8 P45983 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
EGFR P00533 1/20 0.31
FGFR1 P11362 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
SCHEMBL4423212 0.86 CNR2 (0.39) METGSK3ARIPK2ACVR1MAPK8
SCHEMBL4413502 0.80 CDK1 (0.36) METALKGSK3ARIPK2ACVR1
SCHEMBL4414469 0.79 JUN (0.33)
SCHEMBL4420608 0.79 CDK4 (0.44) ALKEGFR
SCHEMBL4413303 0.78 MAPK8 (0.39) METALKGSK3ARIPK2TBK1
SCHEMBL4416334 0.77 IKBKB (0.42)
SCHEMBL4413555 0.76 BRAF (0.38) TBK1WEE1MAPK8EGFRFGFR1
SCHEMBL4411476 0.76 CDK1 (0.33) METALKGSK3ARIPK2TBK1
SCHEMBL4412920 0.75 MAPK10 (0.36) TBK1WEE1EGFRFGFR1
SCHEMBL4414542 0.75 KCNH3 (0.39) TBK1

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