SCHEMBL28438025

SCHEMBL28438025

CS(=O)(=O)Nc1ccccc1Nc1nc(Nc2ccc3nc(CN4CCOCC4)[nH]c3c2)ncc1Cl

nearest known ligand 0.86

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 11/20 0.86
▸ FLT3 P36888 3/20 0.86
▸ EGFR P00533 7/20 0.55
▸ LRRK2 Q5S007 1/20 0.55
▸ MET P08581 2/20 0.51
▸ GRIN1 Q05586 1/20 0.50
▸ GRIN2B Q13224 1/20 0.50
▸ PTK2 Q05397 1/20 0.49
▸ CCNK O75909 1/20 0.48
▸ CCNA2 P20248 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ CCND3 P30281 1/20 0.48
▸ CDK9 P50750 1/20 0.48
▸ CDK6 Q00534 1/20 0.48

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
SCHEMBL28434966 0.93 ALK (0.98) ALKFLT3EGFRMETGRIN1
SCHEMBL28438911 0.92 ALK (1.00) ALKFLT3EGFRMETGRIN1
SCHEMBL28434599 0.92 ALK (0.89) ALKFLT3EGFRMETGRIN1
SCHEMBL28435828 0.92 ALK (1.00) ALKFLT3EGFRMET
SCHEMBL28431615 0.91 ALK (0.86) ALKFLT3EGFRLRRK2MET
SCHEMBL28430784 0.90 ALK (0.85) ALKFLT3EGFRMETGRIN1
SCHEMBL28438915 0.90 ALK (0.88) ALKFLT3EGFRMETGRIN1
SCHEMBL28430807 0.90 ALK (0.84) ALKFLT3EGFRMETGRIN1
SCHEMBL28435539 0.84 ALK (1.00) ALKFLT3EGFRMETPTK2
SCHEMBL28435527 0.82 ALK (0.86) ALKFLT3EGFRMETPTK2

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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