SCHEMBL8014465

SCHEMBL8014465

CCC(Nc1ncnc(C(C)F)c1Cl)c1ccc(SC)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.36
SLC6A4 P31645 2/20 0.35
RPS6KB1 P23443 4/20 0.34
AKT1 P31749 2/20 0.33
MCL1 Q07820 1/20 0.33
FAAH O00519 2/20 0.32
ATP1A1 P05023 1/20 0.32
ATP1B1 P05026 1/20 0.32
ATP1A3 P13637 1/20 0.32
ATP1B2 P14415 1/20 0.32
ATP1A2 P50993 1/20 0.32
ATP1B3 P54709 1/20 0.32
FXYD2 P54710 1/20 0.32
ATP1A4 Q13733 1/20 0.32

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
SCHEMBL8024790 0.86 LMNA (0.38) EGFRRPS6KB1AKT1
SCHEMBL8024896 0.86 HDAC6 (0.41) EGFRRPS6KB1
SCHEMBL8026454 0.85 EGFR (0.42) EGFRRPS6KB1AKT1ATP1A1ATP1B1
SCHEMBL8024728 0.85 EGFR (0.49) EGFRRPS6KB1ATP1A1ATP1B1ATP1A3
SCHEMBL8014117 0.85 GALR3 (0.38) EGFR
SCHEMBL8025137 0.82 EGFR (0.37) EGFRRPS6KB1AKT1
SCHEMBL8014444 0.81 SCN1A (0.36) EGFRRPS6KB1AKT1
SCHEMBL8026446 0.81 EGFR (0.35) EGFRRPS6KB1AKT1ATP1A1ATP1B1
SCHEMBL8014557 0.77 EGFR (0.37) EGFRSLC6A4
SCHEMBL8026760 0.75 CNR1 (0.35) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543402-B1 Aralkylaminopyrimidine derivative, method for preparing the same and composition for controlling noxious organisms UBE INDUSTRIES (JP) 2000-03-01 EP claimed
US-5280025-A Aralkylaminopyrimidine derivative, and chemical for controlling noxious organisms containing the same UBE INDUSTRIES, LTD. (JP) 1994-01-18 US claimed
EP-0543402-A1 Aralkylaminopyrimidine derivative, method for preparing the same and chemical for controlling noxious organisms containing the same UBE INDUSTRIES, LTD. (JP) 1993-05-26 EP claimed