SCHEMBL6668470

SCHEMBL6668470

COc1cc2ncnc(Nc3cc(Cl)c(O)c(Cl)c3)c2cc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.73
MKNK1 Q9BUB5 1/20 0.73
KDR P35968 12/20 0.72
RET P07949 9/20 0.72
KIF5B P33176 7/20 0.72
EGFR P00533 9/20 0.68
GAK O14976 2/20 0.68
RIPK2 O43353 2/20 0.68
FLT1 P17948 2/20 0.68
STK10 O94804 1/20 0.68
FLT3 P36888 1/20 0.68
AAK1 Q2M2I8 1/20 0.68
Q6ZSR9 Q6ZSR9 1/20 0.68
SLK Q9H2G2 1/20 0.68
IRAK4 Q9NWZ3 1/20 0.68
RPS6KA6 Q9UK32 1/20 0.68
ALK Q9UM73 1/20 0.68
PDGFRB P09619 2/20 0.68
AURKA O14965 1/20 0.68
ERBB2 P04626 1/20 0.68

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
SCHEMBL5864546 0.86 KDR (0.82) JAK3MKNK1KDRRETKIF5B
SCHEMBL7119275 0.85 JAK3 (0.74) JAK3MKNK1KDRRETKIF5B
SCHEMBL2100447 0.84 KDR (0.80) KDRRETKIF5BEGFRFLT1
SCHEMBL22590721 0.84 EGFR (0.80) JAK3MKNK1KDRRETKIF5B
SCHEMBL323445 0.84 JAK3 (1.00) JAK3MKNK1KDRRETKIF5B
SCHEMBL5864555 0.84 KDR (0.73) JAK3MKNK1KDRRETKIF5B
SCHEMBL30925305 0.84 JAK3 (1.00) JAK3MKNK1KDRRETKIF5B
SCHEMBL7870579 0.84 KDR (1.00) JAK3MKNK1KDRRETKIF5B
Hydrochloric Acid SCHEMBL7867185 0.83 KDR (0.98) JAK3KDRRETKIF5BEGFR
SCHEMBL5477771 0.81 KDR (1.00) JAK3MKNK1KDRRETKIF5B

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
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
US-6638939-B2 Anticancer agents PARKER HUGHES INSTITUTE 2003-10-28 US disclosed