SCHEMBL8024896

SCHEMBL8024896

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.41
RPS6KB1 P23443 4/20 0.38
EGFR P00533 6/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.37
AURKA O14965 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37

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 0.90 LMNA (0.38) RPS6KB1EGFRAURKA
SCHEMBL8026454 0.89 EGFR (0.42) RPS6KB1EGFR
SCHEMBL8024728 0.88 EGFR (0.49) RPS6KB1EGFR
SCHEMBL8014465 0.86 EGFR (0.36) RPS6KB1EGFR
SCHEMBL8025137 0.85 EGFR (0.37) HDAC6RPS6KB1EGFRMEN1KMT2A
SCHEMBL8014444 0.84 SCN1A (0.36) RPS6KB1EGFRMEN1KMT2A
SCHEMBL8026446 0.84 EGFR (0.35) RPS6KB1EGFR
SCHEMBL9084666 0.77 PTGER4 (0.40) HDAC6RPS6KB1EGFRAURKA
Hydrochloric Acid SCHEMBL9523871 0.76 PTGER4 (0.39) HDAC6RPS6KB1EGFRAURKA
SCHEMBL8014470 0.73 CXCR1 (0.33) 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