SCHEMBL7003243

SCHEMBL7003243

CCOc1ccc2c(Nc3ccc4cn[nH]c4c3)c(C#N)cnc2c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
APAF1 O14727 1/20 0.48
EGFR P00533 6/20 0.46
ERBB2 P04626 5/20 0.46
SRC P12931 5/20 0.46
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.44
STK4 Q13043 4/20 0.44
AGPAT2 O15120 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
SCHEMBL6997780 0.95 MAPT (0.46) MAPTALDH1A1KDM4EAPAF1EGFR
SCHEMBL7000645 0.93 EGFR (0.51) MAPTALDH1A1KDM4EEGFRERBB2
SCHEMBL6999119 0.91 SRC (0.43) MAPTALDH1A1KDM4EEGFRERBB2
SCHEMBL7000865 0.91 SRC (0.43) MAPTALDH1A1KDM4EEGFRERBB2
SCHEMBL7004154 0.89 SRC (0.49) MAPTALDH1A1KDM4EEGFRERBB2
SCHEMBL6999325 0.87 SRC (0.54) SRC
SCHEMBL6997390 0.87 SRC (0.41) MAPTALDH1A1KDM4EEGFRERBB2
SCHEMBL6998133 0.87 PRKCQ (0.49) MAPTALDH1A1KDM4EEGFRERBB2
SCHEMBL7000306 0.86 SRC (0.42) MAPTALDH1A1KDM4EEGFRERBB2
SCHEMBL4454934 0.85 EGFR (0.51) MAPTALDH1A1KDM4EEGFRERBB2

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