SCHEMBL28059285

SCHEMBL28059285

C=CC(=O)Nc1cccc(Nc2nc(Nc3cccc(NC(=O)OC(C)(C)C)c3)ncc2Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.67
BTK Q06187 8/20 0.63
JAK3 P52333 1/20 0.63
ITK Q08881 4/20 0.62
SYK P43405 1/20 0.62

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
SCHEMBL28059266 0.89 EGFR (0.77) EGFRBTKITK
SCHEMBL4180112 0.84 SYK (0.57) EGFRBTKJAK3SYK
SCHEMBL17936495 0.82 JAK3 (0.69) EGFRBTKJAK3
SCHEMBL28059291 0.82 EGFR (0.64) EGFRBTKJAK3ITK
SCHEMBL15987129 0.81 TGM2 (0.55) EGFRBTKITKSYK
SCHEMBL24392803 0.81 JAK3 (0.77) EGFRBTKJAK3
SCHEMBL29537933 0.81 JAK3 (0.77) EGFRBTKJAK3
SCHEMBL16513260 0.81 JAK3 (0.77) EGFRBTKJAK3
SCHEMBL656998 0.81 SYK (0.90) EGFRBTKITKSYK
SCHEMBL9945478 0.80 BTK (0.67) EGFRBTK

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