SCHEMBL28434966

SCHEMBL28434966

CS(=O)(=O)Nc1ccccc1Nc1nc(Nc2ccc3nc(CN4CCCC4)[nH]c3c2)ncc1Cl

nearest known ligand 0.98

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 14/20 0.98
▸ FLT3 P36888 3/20 0.98
▸ MET P08581 1/20 0.53
▸ ROS1 P08922 2/20 0.52
▸ GRIN1 Q05586 1/20 0.52
▸ GRIN2B Q13224 1/20 0.52
▸ AXL P30530 1/20 0.51
▸ EGFR P00533 4/20 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
SCHEMBL28438911 0.99 ALK (1.00) ALKFLT3METROS1GRIN1
SCHEMBL28434599 0.94 ALK (0.89) ALKFLT3METROS1GRIN1
SCHEMBL28435828 0.94 ALK (1.00) ALKFLT3METROS1AXL
SCHEMBL28431615 0.93 ALK (0.86) ALKFLT3METROS1GRIN1
SCHEMBL28438025 0.93 ALK (0.86) ALKFLT3METGRIN1GRIN2B
SCHEMBL28430784 0.93 ALK (0.85) ALKFLT3METROS1GRIN1
SCHEMBL28430807 0.92 ALK (0.84) ALKFLT3METROS1GRIN1
SCHEMBL28438915 0.92 ALK (0.88) ALKFLT3METROS1GRIN1
SCHEMBL28435539 0.86 ALK (1.00) ALKFLT3METROS1EGFR
SCHEMBL28435527 0.84 ALK (0.86) ALKFLT3METROS1EGFR

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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