SCHEMBL28059290

SCHEMBL28059290

C=CC(=O)Nc1cccc(Nc2ncc(C(F)(F)F)c(Nc3cccc(OC4CCN(C(=O)OC(C)(C)C)CC4)c3)n2)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.68
ERBB3 P21860 2/20 0.65
ERBB2 P04626 1/20 0.65
ERBB4 Q15303 1/20 0.65
BTK Q06187 5/20 0.63
JAK3 P52333 2/20 0.57
JAK2 O60674 1/20 0.57
GAK O14976 1/20 0.57
FES P07332 1/20 0.57
FER P16591 1/20 0.57
TEC P42680 1/20 0.57
CLK1 P49759 1/20 0.57
PTK2 Q05397 1/20 0.57
TNK1 Q13470 1/20 0.57
ALK Q9UM73 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
SCHEMBL28053926 1.00 EGFR (0.68) EGFRERBB3ERBB2ERBB4BTK
SCHEMBL28059423 0.96 EGFR (0.66) EGFRERBB3ERBB2ERBB4BTK
SCHEMBL28059275 0.96 EGFR (0.66) EGFRERBB3ERBB2ERBB4BTK
SCHEMBL28059346 0.93 EGFR (0.70) EGFRERBB3ERBB2ERBB4BTK
SCHEMBL28059274 0.93 EGFR (0.70) EGFRERBB3ERBB2ERBB4BTK
SCHEMBL18970169 0.91 EGFR (0.76) EGFRERBB3ERBB2ERBB4BTK
SCHEMBL28053853 0.91 EGFR (0.73) EGFRERBB3ERBB2ERBB4BTK
SCHEMBL28059333 0.90 EGFR (0.71) EGFRERBB3ERBB2ERBB4BTK
SCHEMBL28059332 0.90 EGFR (0.71) EGFRERBB3ERBB2ERBB4BTK
SCHEMBL28059268 0.90 EGFR (0.69) EGFRERBB3ERBB2ERBB4BTK

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
CN-105384695-A Pyrimidine derivative, preparation method therefor and application thereof in medicine SICHUAN HAISCO PHARMACEUTICAL CO LTD 2016-03-09 CN disclosed