SCHEMBL28434053

SCHEMBL28434053

Cc1[nH]c2cc(Nc3ncc(Cl)c(Nc4ccccc4NS(C)(=O)=O)n3)ccc2c1C(=O)N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 11/20 1.00
▸ FLT3 P36888 2/20 0.56
▸ EGFR P00533 3/20 0.54
▸ LRRK2 Q5S007 2/20 0.54
▸ PTK2 Q05397 3/20 0.53
▸ MET P08581 1/20 0.51
▸ INSR P06213 1/20 0.50
▸ IGF1R P08069 1/20 0.50
▸ PTK2B Q14289 1/20 0.50
▸ PKMYT1 Q99640 1/20 0.50
▸ MAPK9 P45984 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ SLC2A1 P11166 1/20 0.49
▸ JAK2 O60674 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
SCHEMBL28435838 0.93 ALK (0.88) ALKFLT3EGFRMET
SCHEMBL28436291 0.93 ALK (0.86) ALKFLT3EGFRMET
SCHEMBL28441579 0.92 ALK (0.85) ALKFLT3EGFRMET
SCHEMBL28430882 0.91 ALK (0.84) ALKFLT3EGFRPTK2MET
SCHEMBL28435607 0.91 ALK (1.00) ALKFLT3EGFRMET
SCHEMBL28430802 0.91 ALK (0.89) ALKFLT3EGFRMET
SCHEMBL28432985 0.90 ALK (0.82) ALKFLT3EGFRMET
SCHEMBL28430221 0.89 ALK (0.82) ALKFLT3EGFRMET
SCHEMBL28436373 0.89 ALK (0.80) ALKFLT3EGFRPTK2MET
SCHEMBL28432882 0.88 ALK (0.83) ALKEGFRPTK2INSRIGF1R

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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