SCHEMBL7216169

SCHEMBL7216169

O=C(O)C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.63
ERBB3 P21860 1/20 0.63
DUS2 Q9NX74 1/20 0.63
ERBB2 P04626 9/20 0.61
ERBB4 Q15303 4/20 0.59
JAK3 P52333 2/20 0.59
GAK O14976 2/20 0.57
LCK P06239 2/20 0.57
RIPK2 O43353 1/20 0.57
NR1I2 O75469 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
CHRM1 P11229 1/20 0.57
SRC P12931 1/20 0.57
DRD2 P14416 1/20 0.57
ADRA2C P18825 1/20 0.57
SLC6A2 P23975 1/20 0.57
MC3R P41968 1/20 0.57
SLC6A3 Q01959 1/20 0.57
PDE4D Q08499 1/20 0.57
KCNH2 Q12809 1/20 0.57

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
SCHEMBL7219678 0.95 EGFR (0.64) EGFRERBB3DUS2ERBB2ERBB4
SCHEMBL7220061 0.86 EGFR (0.79) EGFRERBB2ERBB4JAK3
SCHEMBL1418417 0.85 EGFR (0.74) EGFRERBB3DUS2ERBB2ERBB4
SCHEMBL1418419 0.85 EGFR (0.74) EGFRERBB3DUS2ERBB2ERBB4
SCHEMBL7219974 0.84 EGFR (0.61) EGFRERBB3DUS2ERBB2ERBB4
SCHEMBL7802553 0.83 EGFR (0.67) EGFRERBB3DUS2ERBB2ERBB4
SCHEMBL7807734 0.81 EGFR (0.65) EGFRERBB3DUS2ERBB2ERBB4
SCHEMBL29731552 0.81 EGFR (0.82) EGFRERBB3DUS2ERBB2ERBB4
SCHEMBL22847994 0.81 EGFR (0.82) EGFRERBB3DUS2ERBB2ERBB4
SCHEMBL19027164 0.81 EGFR (0.61) EGFRERBB3DUS2ERBB2ERBB4

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
US-6602863-B1 Irreversible inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY 2003-08-05 US disclosed