SCHEMBL17059592

SCHEMBL17059592

C=CC(=O)Nc1cccc(NC(=O)Nc2ccnc(Nc3ccc(N4CCOCC4)cn3)n2)c1

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.84
JAK2 O60674 2/20 0.62
JAK1 P23458 2/20 0.62
TYK2 P29597 2/20 0.62
JAK3 P52333 2/20 0.62
BTK Q06187 5/20 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
SCHEMBL17059694 0.91 EGFR (1.00) EGFRJAK2JAK1TYK2JAK3
SCHEMBL17059668 0.90 EGFR (0.83) EGFRJAK3BTK
SCHEMBL17059587 0.85 EGFR (0.81) EGFRJAK2JAK1TYK2JAK3
SCHEMBL17059584 0.84 EGFR (1.00) EGFRJAK3
SCHEMBL17059604 0.84 EGFR (0.85) EGFRJAK2JAK1TYK2JAK3
SCHEMBL17059685 0.82 EGFR (1.00) EGFRJAK2JAK1TYK2JAK3
SCHEMBL17059632 0.79 EGFR (0.75) EGFR
SCHEMBL17059625 0.79 EGFR (1.00) EGFRJAK3
SCHEMBL29813541 0.77 JAK2 (1.00) EGFRJAK2JAK1TYK2JAK3
SCHEMBL28876009 0.77 JAK2 (1.00) EGFRJAK2JAK1TYK2JAK3

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
WO-2015127873-A1 ARYLAMINO PYRAMIDINE COMPOUND AND APPLICATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM 上海海雁医药科技有限公司 2015-09-03 WO disclosed