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SCHEMBL28059273

SCHEMBL28059273

C=CC(=O)Nc1cc(Nc2nc(Nc3cccc(N(CS(=O)(=O)O)C(=O)C=C)c3)ncc2C(F)(F)F)ccc1N(C)CCN(C)C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.54
▸ BTK Q06187 6/20 0.49
▸ JAK3 P52333 5/20 0.48
▸ JAK2 O60674 2/20 0.48
▸ NUAK1 O60285 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ TYK2 P29597 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ CDK16 Q00536 1/20 0.46
▸ CCNY Q8ND76 1/20 0.46

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
SCHEMBL28059336 0.87 EGFR (0.63) EGFRBTKJAK3JAK2
SCHEMBL28059335 0.87 EGFR (0.63) EGFRBTKJAK3JAK2
SCHEMBL28059271 0.76 EGFR (0.63) EGFRBTKJAK3JAK2NUAK1
SCHEMBL18000900 0.73 EGFR (0.66) EGFRJAK3JAK2NUAK1JAK1
SCHEMBL18000712 0.73 JAK3 (0.60) EGFRBTKJAK3JAK2NUAK1
SCHEMBL18030206 0.72 EGFR (0.58) EGFRJAK3JAK2NUAK1JAK1
SCHEMBL18001170 0.72 EGFR (0.58) EGFRJAK3JAK2NUAK1JAK1
SCHEMBL26876001 0.72 JAK3 (0.67) EGFRJAK3JAK2NUAK1JAK1
SCHEMBL18001387 0.72 EGFR (0.56) EGFRJAK3JAK2NUAK1JAK1
SCHEMBL18001627 0.71 EGFR (0.57) EGFRJAK3JAK2NUAK1JAK1

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