SCHEMBL28436289

SCHEMBL28436289

COC(=O)c1c(C)[nH]c2cc(Nc3ncc(Cl)c(Nc4ccccc4NS(C)(=O)=O)n3)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 11/20 1.00
▸ MET P08581 2/20 0.57
▸ FLT3 P36888 2/20 0.56
▸ EGFR P00533 4/20 0.52
▸ PTK2 Q05397 3/20 0.52
▸ MAPK3 P27361 1/20 0.51
▸ GLO1 Q04760 1/20 0.49

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
SCHEMBL28430786 0.93 ALK (0.87) ALKMETFLT3EGFRPTK2
SCHEMBL28430835 0.92 ALK (0.85) ALKMETFLT3EGFRPTK2
SCHEMBL28438028 0.87 ALK (0.78) ALKMETFLT3EGFRPTK2
SCHEMBL28440555 0.87 ALK (1.00) ALKMETPTK2
SCHEMBL28435838 0.87 ALK (0.88) ALKMETFLT3EGFR
SCHEMBL28436291 0.86 ALK (0.86) ALKMETFLT3EGFR
SCHEMBL28430221 0.85 ALK (0.82) ALKMETFLT3EGFR
SCHEMBL28441579 0.85 ALK (0.85) ALKMETFLT3EGFR
SCHEMBL28430882 0.85 ALK (0.84) ALKMETFLT3EGFRPTK2
SCHEMBL28434053 0.85 ALK (1.00) ALKMETFLT3EGFRPTK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111484484-B 2, 4-diaryl aminopyrimidine derivative containing aromatic heterocycle and preparation and application thereof 沈阳药科大学 2021-11-23 — — CN claimed
CN-111484484-A 2, 4-diaryl aminopyrimidine derivative containing aromatic heterocycle and preparation and application thereof 沈阳药科大学 2020-08-04 — — CN claimed
CN-111484484-B 2, 4-diaryl aminopyrimidine derivative containing aromatic heterocycle and preparation and application thereof 沈阳药科大学 2021-11-23 — — CN disclosed
CN-111484484-A 2, 4-diaryl aminopyrimidine derivative containing aromatic heterocycle and preparation and application thereof 沈阳药科大学 2020-08-04 — — CN disclosed
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