SCHEMBL6668474

SCHEMBL6668474

Cc1ccc2ncnc(Nc3ccc(NC=O)cc3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.68
KDM4E B2RXH2 3/20 0.68
MAPK1 P28482 3/20 0.68
NCOA1 Q15788 2/20 0.66
NCOA3 Q9Y6Q9 2/20 0.66
MAPT P10636 3/20 0.65
LMNA P02545 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
HPGD P15428 3/20 0.60
ALDH1A1 P00352 3/20 0.60
NPC1 O15118 2/20 0.55
POLB P06746 1/20 0.55
RAB9A P51151 1/20 0.55
EGFR P00533 5/20 0.54
ERBB2 P04626 3/20 0.54
GRM1 Q13255 1/20 0.52
CD38 P28907 1/20 0.52
ALK Q9UM73 1/20 0.49
MEN1 O00255 1/20 0.49
GLA P06280 1/20 0.49

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
SCHEMBL6666471 0.85 EGFR (0.68) EGFRERBB2
SCHEMBL5564480 0.83 MAPK1 (0.76) HTTKDM4EMAPK1NCOA1NCOA3
SCHEMBL5570037 0.82 HTT (0.74) HTTKDM4EMAPK1NCOA1NCOA3
SCHEMBL5569927 0.82 KDM4E (0.74) HTTKDM4EMAPK1NCOA1NCOA3
SCHEMBL5568874 0.82 HTT (0.74) HTTKDM4EMAPK1NCOA1NCOA3
SCHEMBL2101381 0.81 HTT (1.00) HTTKDM4EMAPK1NCOA1NCOA3
SCHEMBL5570080 0.80 KDM4E (0.67) HTTKDM4EMAPK1NCOA1NCOA3
SCHEMBL6663823 0.80 ALK (0.74) HTTMAPK1NCOA1NCOA3MAPT
SCHEMBL15503743 0.80 NCOA1 (1.00) HTTKDM4EMAPK1NCOA1NCOA3
SCHEMBL5570076 0.80 HTT (0.70) HTTKDM4EMAPK1NCOA1NCOA3

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
WO-2004013091-A2 4-ANILIDO SUBSTITUTED QUINAZOLINES AND USE THEREOF AS INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR KINASES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-02-12 WO disclosed