SCHEMBL28117817

SCHEMBL28117817

C=C(C(=O)N1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc2OC)CC1)C1(C)CO1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.76
ERBB2 P04626 4/20 0.68
RIPK2 O43353 1/20 0.67
RET P07949 1/20 0.67
MET P08581 1/20 0.67
EPHB2 P29323 1/20 0.67
TEC P42680 1/20 0.67
EPHB4 P54760 1/20 0.67
EPHA4 P54764 1/20 0.67
BTK Q06187 1/20 0.67
KCNH2 Q12809 1/20 0.67
TNK1 Q13470 1/20 0.67
RIPK3 Q9Y572 1/20 0.67

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
SCHEMBL9883218 0.88 EGFR (0.84) EGFRERBB2RIPK2RETMET
SCHEMBL3423119 0.88 EGFR (0.88) EGFRERBB2RIPK2RETMET
SCHEMBL28117293 0.88 EGFR (0.77) EGFRERBB2RIPK2RETMET
SCHEMBL5207429 0.88 EGFR (0.85) EGFRERBB2RIPK2RETMET
SCHEMBL28117875 0.88 EGFR (0.76) EGFRERBB2RIPK2RETMET
SCHEMBL3395768 0.86 EGFR (0.89) EGFRERBB2RIPK2RETMET
SCHEMBL3391925 0.86 EGFR (1.00) EGFRERBB2RIPK2RETMET
SCHEMBL3423001 0.86 EGFR (0.78) EGFRERBB2RIPK2RETMET
SCHEMBL3695693 0.86 EGFR (0.78) EGFRERBB2RIPK2RETMET
SCHEMBL3391495 0.86 EGFR (0.78) EGFRERBB2RIPK2RETMET

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
CN-106279128-B Epoxyethane derivative and preparation method thereof and application in medicine 四川海思科制药有限公司 2019-09-13 CN disclosed
CN-106279128-A Epoxyethane derivative and preparation method thereof and in application pharmaceutically 四川海思科制药有限公司 2017-01-04 CN disclosed