SCHEMBL8024728

SCHEMBL8024728

CCC(Nc1ncnc(C(C)F)c1Cl)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.49
RPS6KB1 P23443 3/20 0.46
LMNA P02545 1/20 0.42
P2RX3 P56373 2/20 0.41
ATP1A1 P05023 1/20 0.39
ATP1B1 P05026 1/20 0.39
ATP1A3 P13637 1/20 0.39
ATP1B2 P14415 1/20 0.39
ATP1A2 P50993 1/20 0.39
ATP1B3 P54709 1/20 0.39
FXYD2 P54710 1/20 0.39
ATP1A4 Q13733 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ASPH Q12797 1/20 0.38
KDM8 Q8N371 1/20 0.38
GALR3 O60755 1/20 0.38
NR2F2 P24468 1/20 0.38
CRHR1 P34998 1/20 0.38

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 0.88 LMNA (0.38) EGFRRPS6KB1LMNAP2RX3
SCHEMBL8024896 0.88 HDAC6 (0.41) EGFRRPS6KB1
SCHEMBL8026454 0.87 EGFR (0.42) EGFRRPS6KB1LMNAATP1A1ATP1B1
SCHEMBL8014465 0.85 EGFR (0.36) EGFRRPS6KB1ATP1A1ATP1B1ATP1A3
SCHEMBL8025137 0.84 EGFR (0.37) EGFRRPS6KB1CRHR1
SCHEMBL7173846 0.83 GALR3 (0.55) EGFRLMNAGALR3NR2F2
SCHEMBL8028223 0.83 GALR3 (0.55) EGFRLMNAGALR3NR2F2
SCHEMBL7173843 0.83 GALR3 (0.55) EGFRLMNAGALR3NR2F2
SCHEMBL7173840 0.83 GALR3 (0.55) EGFRLMNAGALR3NR2F2
SCHEMBL8026446 0.83 EGFR (0.35) EGFRRPS6KB1LMNAATP1A1ATP1B1

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