SCHEMBL25309

SCHEMBL25309

CNc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN1CCCCC1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.82
ERBB2 P04626 13/20 0.82
ERBB4 Q15303 11/20 0.82
JAK3 P52333 4/20 0.82
GAK O14976 1/20 0.82
RIPK2 O43353 1/20 0.82
NR1I2 O75469 1/20 0.82
LCK P06239 1/20 0.82
ADORA3 P0DMS8 1/20 0.82
CHRM1 P11229 1/20 0.82
SRC P12931 1/20 0.82
DRD2 P14416 1/20 0.82
ADRA2C P18825 1/20 0.82
SLC6A2 P23975 1/20 0.82
MC3R P41968 1/20 0.82
SLC6A3 Q01959 1/20 0.82
PDE4D Q08499 1/20 0.82
KCNH2 Q12809 1/20 0.82
RIPK3 Q9Y572 1/20 0.82

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
SCHEMBL30115345 1.00 EGFR (0.82) EGFRERBB2ERBB4JAK3GAK
SCHEMBL30115300 0.93 EGFR (0.72) EGFRERBB2ERBB4JAK3GAK
SCHEMBL16206672 0.92 EGFR (0.82) EGFRERBB2ERBB4JAK3GAK
SCHEMBL30115334 0.92 EGFR (0.70) EGFRERBB2ERBB4JAK3GAK
SCHEMBL21698585 0.91 EGFR (0.81) EGFRERBB2ERBB4JAK3GAK
SCHEMBL33136 0.90 EGFR (1.00) EGFRERBB2ERBB4JAK3GAK
Dacomitinib Anhydrous SCHEMBL29396914 0.90 EGFR (1.00) EGFRERBB2ERBB4JAK3GAK
Dacomitinib Anhydrous SCHEMBL33147 0.90 EGFR (1.00) EGFRERBB2ERBB4JAK3GAK
SCHEMBL25098 0.90 EGFR (1.00) EGFRERBB2ERBB4JAK3GAK
Dacomitinib Anhydrous SCHEMBL29377735 0.90 EGFR (1.00) EGFRERBB2ERBB4JAK3GAK

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 4 patents. 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 claimed
US-20110262877-A1 HEAT TREATMENT APPARATUS IHI CORPORATION (JP) 2011-10-27 US claimed
EP-1746999-B1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES WARNER LAMBERT CO (US) 2011-11-16 EP disclosed
US-20110262877-A1 HEAT TREATMENT APPARATUS IHI CORPORATION (JP) 2011-10-27 US disclosed