SCHEMBL33141

SCHEMBL33141

C=C/N=C1/C=C(OC)C(NC(=O)/C=C/CN2CCCCC2)=C/C1=C(/N)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.48
ERBB4 Q15303 10/20 0.48
ERBB2 P04626 10/20 0.48
JAK3 P52333 3/20 0.48
GAK O14976 1/20 0.48
RIPK2 O43353 1/20 0.48
NR1I2 O75469 1/20 0.48
LCK P06239 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM1 P11229 1/20 0.48
SRC P12931 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA2C P18825 1/20 0.48
SLC6A2 P23975 1/20 0.48
MC3R P41968 1/20 0.48
SLC6A3 Q01959 1/20 0.48
PDE4D Q08499 1/20 0.48
KCNH2 Q12809 1/20 0.48
RIPK3 Q9Y572 1/20 0.48
HPGD P15428 1/20 0.42

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
SCHEMBL33142 0.92 EGFR (0.50) EGFRERBB4ERBB2JAK3GAK
SCHEMBL4414699 0.76 MAPT (0.41)
SCHEMBL14470651 0.76 EGFR (0.52) EGFRERBB4ERBB2JAK3GAK
SCHEMBL24784988 0.74 EGFR (0.59) EGFRERBB4ERBB2JAK3GAK
SCHEMBL13818731 0.74 EGFR (0.45) EGFRERBB4ERBB2JAK3GAK
SCHEMBL14605834 0.73 EGFR (0.38) EGFRERBB2
SCHEMBL14147701 0.73 KDR (0.40)
SCHEMBL19779461 0.70 EGFR (0.59) EGFRERBB4ERBB2JAK3GAK
SCHEMBL13267377 0.69 EGFR (0.63) EGFRERBB4ERBB2JAK3GAK
SCHEMBL12262261 0.68 EGFR (0.66) EGFRERBB4ERBB2JAK3GAK

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-1746999-B1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES WARNER LAMBERT CO (US) 2011-11-16 EP disclosed