SCHEMBL28680494

SCHEMBL28680494

C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)cc3OC)ncc2C(F)(F)F)c1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.78
ERBB3 P21860 2/20 0.73
GAK O14976 1/20 0.73
FES P07332 1/20 0.73
FER P16591 1/20 0.73
TEC P42680 1/20 0.73
CLK1 P49759 1/20 0.73
JAK3 P52333 1/20 0.73
PTK2 Q05397 1/20 0.73
BTK Q06187 1/20 0.73
TNK1 Q13470 1/20 0.73
ALK Q9UM73 1/20 0.73
ERBB2 P04626 1/20 0.70
ERBB4 Q15303 1/20 0.70

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
SCHEMBL16546409 0.93 EGFR (0.86) EGFRERBB3GAKFESFER
SCHEMBL16546407 0.93 EGFR (0.86) EGFRERBB3GAKFESFER
SCHEMBL24617843 0.92 EGFR (0.77) EGFRERBB3GAKFESFER
SCHEMBL4173539 0.91 EGFR (0.74) EGFRERBB3GAKFESFER
SCHEMBL2730802 0.90 EGFR (0.95) EGFRERBB3GAKFESFER
SCHEMBL9893562 0.88 EGFR (1.00) EGFRERBB3GAKFESFER
SCHEMBL2730294 0.87 EGFR (1.00) EGFRERBB3GAKFESFER
SCHEMBL17002256 0.86 EGFR (0.88) EGFRERBB3GAKFESFER
SCHEMBL4157042 0.86 EGFR (1.00) EGFRERBB3GAKFESFER
SCHEMBL9893264 0.86 EGFR (1.00) EGFRERBB3GAKFESFER

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-108137544-B Aminopyrimidines useful for inhibiting protein tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2022-01-04 CN disclosed