SCHEMBL9212072

SCHEMBL9212072

CCc1ncnc(NC(CC)c2ccc(Oc3c(F)c(F)c(F)c(F)c3F)cc2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.36
CRHR1 P34998 2/20 0.35
PTGER4 P35408 1/20 0.33
RPS6KB1 P23443 3/20 0.32
AKT1 P31749 2/20 0.31
LCK P06239 1/20 0.31
ACACB O00763 1/20 0.30

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
SCHEMBL9212840 0.92 ALDH1A1 (0.35) EGFRCRHR1PTGER4RPS6KB1AKT1
SCHEMBL9208274 0.91 PIK3CD (0.34) EGFRCRHR1RPS6KB1
SCHEMBL9084666 0.89 PTGER4 (0.40) EGFRCRHR1PTGER4RPS6KB1
Hydrochloric Acid SCHEMBL9523871 0.88 PTGER4 (0.39) EGFRCRHR1PTGER4RPS6KB1
SCHEMBL9728933 0.88 IDH1 (0.37) EGFRCRHR1ACACB
SCHEMBL9729031 0.88 EGFR (0.36) EGFRCRHR1PTGER4RPS6KB1AKT1
SCHEMBL9523756 0.85 CRHR1 (0.39) EGFRCRHR1PTGER4RPS6KB1AKT1
SCHEMBL9523823 0.83 CRHR1 (0.42) EGFRCRHR1RPS6KB1AKT1
SCHEMBL9193841 0.83 CRHR1 (0.39) EGFRCRHR1RPS6KB1AKT1
SCHEMBL9216328 0.82 AURKA (0.42) EGFRCRHR1RPS6KB1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5141941-A ARALKYLAMINE DERIVATIVES, AND FUNGICIDES CONTAINING THE SAME UBE INDUSTRIES, LTD. (JP) 1992-08-25 US claimed
EP-0432894-A1 Fungicidal composition UBE INDUSTRIES, LTD. (JP) 1991-06-19 EP claimed
JP-3180574-A None JP disclosed
JP-3007267-A None JP disclosed
EP-0370704-B1 Aralkylamine derivatives, preparation thereof and fungicides containing the same UBE INDUSTRIES (JP) 1995-02-01 EP disclosed
US-5141941-A ARALKYLAMINE DERIVATIVES, AND FUNGICIDES CONTAINING THE SAME UBE INDUSTRIES, LTD. (JP) 1992-08-25 US disclosed
JP-H03180574-A FINISH PROCESSING OF FIBER STRUCTURE KANAGAWA PREF GOV 1991-08-06 JP disclosed
EP-0432894-A1 Fungicidal composition UBE INDUSTRIES, LTD. (JP) 1991-06-19 EP disclosed
JP-H037267-A ARALKYLAMINE DERIVATIVE, ITS PRODUCTION AND FUNGICIDE UBE IND LTD 1991-01-14 JP disclosed
EP-0370704-A2 Aralkylamine derivatives, preparation thereof and fungicides containing the same UBE INDUSTRIES, LTD. (JP) 1990-05-30 EP disclosed