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SCHEMBL17059685

SCHEMBL17059685

C=CC(=O)Nc1cccc(NC(=O)Nc2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 1.00
▸ BTK Q06187 3/20 0.63
▸ JAK3 P52333 4/20 0.62
▸ JAK2 O60674 2/20 0.61
▸ BLK P51451 1/20 0.61
▸ BMX P51813 1/20 0.61
▸ SRC P12931 1/20 0.60
▸ TEC P42680 1/20 0.60
▸ SLK Q9H2G2 1/20 0.60
▸ JAK1 P23458 1/20 0.60
▸ TYK2 P29597 1/20 0.60
▸ FLT3 P36888 1/20 0.60

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
SCHEMBL10127802 0.93 EGFR (0.87) EGFRBTKJAK3JAK2BLK
SCHEMBL17059604 0.91 EGFR (0.85) EGFRBTKJAK3JAK2BLK
SCHEMBL17059668 0.91 EGFR (0.83) EGFRBTKJAK3
SCHEMBL17059694 0.90 EGFR (1.00) EGFRBTKJAK3JAK2BLK
SCHEMBL17059644 0.87 EGFR (1.00) EGFRBTKJAK3JAK2BLK
SCHEMBL10155136 0.87 EGFR (0.77) EGFRBTKJAK3JAK2BLK
SCHEMBL17059682 0.86 EGFR (0.76) EGFRJAK3JAK2FLT3
SCHEMBL17059589 0.84 EGFR (0.80) EGFRBTK
SCHEMBL17059681 0.83 EGFR (0.72) EGFRJAK3JAK2
SCHEMBL10127782 0.83 MAP3K7 (0.75) EGFRBTKJAK3JAK2BLK

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