SCHEMBL28441579

SCHEMBL28441579

Cc1[nH]c2cc(Nc3ncc(Cl)c(Nc4ccccc4NS(C)(=O)=O)n3)ccc2c1C(=O)N1CCN(C)CC1

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 14/20 0.85
▸ FLT3 P36888 2/20 0.63
▸ EGFR P00533 2/20 0.53
▸ AXL P30530 3/20 0.53
▸ MET P08581 1/20 0.52
▸ ROS1 P08922 2/20 0.51
▸ MAP3K7 O43318 1/20 0.51

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
SCHEMBL28435838 0.94 ALK (0.88) ALKFLT3EGFRAXLMET
SCHEMBL28436291 0.93 ALK (0.86) ALKFLT3EGFRAXLMET
SCHEMBL28436373 0.92 ALK (0.80) ALKFLT3EGFRAXLMET
SCHEMBL28432985 0.92 ALK (0.82) ALKFLT3EGFRAXLMET
SCHEMBL28434053 0.92 ALK (1.00) ALKFLT3EGFRMET
SCHEMBL28430882 0.92 ALK (0.84) ALKFLT3EGFRMETROS1
SCHEMBL28430802 0.91 ALK (0.89) ALKFLT3EGFRMET
SCHEMBL28435607 0.91 ALK (1.00) ALKFLT3EGFRMET
SCHEMBL28430221 0.90 ALK (0.82) ALKFLT3EGFRMETROS1
SCHEMBL28432907 0.88 ALK (0.84) ALKEGFRMET

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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