SCHEMBL19751663

SCHEMBL19751663

C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2O)CC1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.83
ERBB2 P04626 4/20 0.83
KCNH2 Q12809 2/20 0.83
RIPK2 O43353 1/20 0.83
RET P07949 1/20 0.83
MET P08581 1/20 0.83
EPHB2 P29323 1/20 0.83
TEC P42680 1/20 0.83
EPHB4 P54760 1/20 0.83
EPHA4 P54764 1/20 0.83
BTK Q06187 1/20 0.83
TNK1 Q13470 1/20 0.83
RIPK3 Q9Y572 1/20 0.83

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
SCHEMBL21588621 0.91 EGFR (0.82) EGFRERBB2KCNH2RIPK2RET
SCHEMBL28764348 0.91 EGFR (0.84) EGFRERBB2KCNH2RIPK2RET
SCHEMBL29707113 0.91 EGFR (0.84) EGFRERBB2KCNH2RIPK2RET
Poziotinib SCHEMBL29453260 0.91 EGFR (1.00) EGFRERBB2KCNH2RIPK2RET
Poziotinib SCHEMBL29375341 0.91 EGFR (1.00) EGFRERBB2KCNH2RIPK2RET
Poziotinib SCHEMBL3391764 0.91 EGFR (1.00) EGFRERBB2KCNH2RIPK2RET
SCHEMBL22630755 0.90 EGFR (0.90) EGFRERBB2KCNH2RIPK2RET
Poziotinib SCHEMBL14841985 0.90 EGFR (0.98) EGFRERBB2KCNH2RIPK2RET
SCHEMBL28458814 0.90 EGFR (0.84) EGFRERBB2KCNH2RIPK2RET
SCHEMBL22244610 0.89 EGFR (0.86) EGFRERBB2KCNH2RIPK2RET

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-2948441-B1 METHOD FOR PREPARING 1-(4-(4-(3,4-DICHLORO-2-FLUOROPHENYLAMINO)-7-METHOXYQUINAZOLIN-6-YLOXY)PIPERIDIN-1-YL)PROP-2-EN-1-ONE HANMI PHARM IND CO LTD (KR) 2017-12-27 EP disclosed