SCHEMBL6999119

SCHEMBL6999119

COc1c(OCCCl)ccc2c(Nc3ccc4cn[nH]c4c3)c(C#N)cnc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 10/20 0.43
EGFR P00533 7/20 0.43
ERBB2 P04626 4/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PRKCQ Q04759 2/20 0.42
IGF1R P08069 1/20 0.41
RET P07949 1/20 0.41
KDR P35968 1/20 0.41
MAP3K8 P41279 1/20 0.40
GAK O14976 1/20 0.39

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
SCHEMBL7000865 0.97 SRC (0.43) SRCEGFRERBB2KDM4EALDH1A1
SCHEMBL7003243 0.91 MAPT (0.48) SRCEGFRERBB2KDM4EALDH1A1
SCHEMBL7000645 0.90 EGFR (0.51) SRCEGFRERBB2KDM4EALDH1A1
SCHEMBL7004154 0.90 SRC (0.49) SRCEGFRERBB2KDM4EALDH1A1
SCHEMBL6998133 0.88 PRKCQ (0.49) SRCEGFRERBB2KDM4EALDH1A1
SCHEMBL6997390 0.88 SRC (0.41) SRCEGFRERBB2KDM4EALDH1A1
SCHEMBL6999325 0.88 SRC (0.54) SRCPRKCQ
SCHEMBL7000306 0.87 SRC (0.42) SRCEGFRERBB2KDM4EALDH1A1
SCHEMBL6999392 0.86 SRC (0.52) SRCPRKCQIGF1R
SCHEMBL6992394 0.86 SRC (0.55) SRCEGFRERBB2PRKCQ

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-1117659-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH CORP (US) 2003-12-03 EP claimed