SCHEMBL7015262

SCHEMBL7015262

COc1ccc(C#Cc2ccc3c(Nc4cc(OC)c(Cl)cc4Cl)ccnc3c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 14/20 0.66
GAK O14976 3/20 0.50
RIPK2 O43353 3/20 0.50
COQ8A Q8NI60 2/20 0.50
NLK Q9UBE8 2/20 0.50
EGFR P00533 1/20 0.46
NOD1 Q9Y239 1/20 0.46
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
PDGFRA P16234 1/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL7015603 0.81 SRC (0.73) SRCGAKRIPK2COQ8ANLK
SCHEMBL7012160 0.81 SRC (0.73) SRCGAKRIPK2COQ8ANLK
SCHEMBL3225033 0.80 SRC (0.86) SRCABL1BCR
SCHEMBL3224350 0.77 SRC (0.61) SRCGAKRIPK2COQ8ANLK
SCHEMBL7014373 0.77 SRC (0.67) SRCGAKRIPK2COQ8ANLK
SCHEMBL19209424 0.76 SRC (0.81) SRCGAKRIPK2COQ8ANLK
SCHEMBL19617953 0.76 SRC (0.81) SRCGAKRIPK2COQ8ANLK
SCHEMBL5502139 0.76 SRC (0.81) SRCGAKRIPK2COQ8ANLK
SCHEMBL7008456 0.75 SRC (0.67) SRCGAK
SCHEMBL6188668 0.72 SRC (0.82) SRCGAKRIPK2COQ8ANLK

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-1268431-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2003-01-02 EP disclosed
WO-2001072711-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2001-10-04 WO disclosed