SCHEMBL27764121

SCHEMBL27764121

Nc1cccc(Nc2ccc(F)c(Cl)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
MAPT P10636 3/20 0.56
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
GFER P55789 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
SOS1 Q07889 1/20 0.54
EGFR P00533 3/20 0.52
MAPK1 P28482 1/20 0.50
RAPGEF4 Q8WZA2 1/20 0.49
IDO1 P14902 2/20 0.48
TDO2 P48775 1/20 0.48
SYK P43405 1/20 0.48
GRM1 Q13255 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
BRAF P15056 1/20 0.46

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
SCHEMBL2837168 0.85 EGFR (0.56) EGFRMAPK1SYKGRM1BRAF
SCHEMBL5572683 0.83 DDX3X (0.68) MEN1MAPTKMT2ALMNAALDH1A1
SCHEMBL7554636 0.82 SOS1 (0.60) MEN1MAPTKMT2ATDP1SOS1
SCHEMBL2127990 0.79 MAPT (0.86) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL3080763 0.78 MAPT (0.70) MEN1MAPTKMT2AKDM4ELMNA
Hydrochloric Acid SCHEMBL21647359 0.77 MAPT (0.82) MEN1MAPTKMT2AKDM4ELMNA
Hydrochloric Acid SCHEMBL31528395 0.77 MAPT (0.82) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL24004080 0.76 KDM4E (0.67) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL9480199 0.75 MAPT (0.95) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL670295 0.75 MEN1 (0.57) MEN1MAPTKMT2AKDM4ELMNA

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
CN-101454287-A Substituted cyanopyridines as protein kinase inhibitors WYETH CORP (US) 2009-06-10 CN claimed
CN-101454287-A Substituted cyanopyridines as protein kinase inhibitors WYETH CORP (US) 2009-06-10 CN disclosed