SCHEMBL17059705

SCHEMBL17059705

C=CC(=O)Nc1cccc(NC(=O)Nc2ccnc(Nc3ccc(N4CCC(N(C)C)CC4)cc3OC)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 1.00
BTK Q06187 3/20 0.65
JAK3 P52333 1/20 0.64

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
SCHEMBL17059690 0.92 EGFR (1.00) EGFRBTKJAK3
SCHEMBL17059701 0.90 EGFR (0.82) EGFRBTKJAK3
SCHEMBL17059659 0.90 EGFR (0.87) EGFRJAK3
SCHEMBL17059644 0.90 EGFR (1.00) EGFRBTKJAK3
SCHEMBL17059584 0.89 EGFR (1.00) EGFRJAK3
SCHEMBL17059606 0.88 EGFR (1.00) EGFRBTKJAK3
SCHEMBL17059651 0.88 EGFR (0.78) EGFRBTKJAK3
SCHEMBL17059704 0.88 EGFR (0.85) EGFRJAK3
SCHEMBL17059625 0.87 EGFR (1.00) EGFRJAK3
SCHEMBL17059700 0.86 EGFR (0.76) EGFRBTKJAK3

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