SCHEMBL4416339

SCHEMBL4416339

O=C(NCCN1CCNC1=O)Oc1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.39
SCN9A Q15858 9/20 0.37
LMNA P02545 1/20 0.36
POLR1A O95602 1/20 0.36
HPGDS O60760 1/20 0.36
SCN5A Q14524 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
TNK2 Q07912 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34
PDGFRA P16234 1/20 0.34

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
SCHEMBL5559621 0.88 KDM4E (0.47) KDM4EALDH1A1SCN9ALMNAPOLR1A
SCHEMBL4413312 0.87 LMNA (0.42) KDM4ELMNAEGFRPDGFRBKIT
SCHEMBL4413555 0.85 BRAF (0.38) ABL1EGFRPDGFRBKITFGFR1
SCHEMBL4412966 0.84 EGFR (0.41) KDM4EALDH1A1EGFRFGFR1WEE1
SCHEMBL4415084 0.83 MAPK10 (0.36) ABL1EGFRPDGFRBKITFGFR1
SCHEMBL4412920 0.83 MAPK10 (0.36) ABL1EGFRPDGFRBKITFGFR1
SCHEMBL4414542 0.83 KCNH3 (0.39)
SCHEMBL4416830 0.83 BRAF (0.44) SCN9A
SCHEMBL4411774 0.83 MAPK10 (0.36) ABL1EGFRPDGFRBKITFGFR1
SCHEMBL4418433 0.82 CDK2 (0.47) ABL1SRC

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