SCHEMBL9524273

SCHEMBL9524273

CCCC(C)Oc1ccc(C(CC)Nc2ncnc(CC)c2Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.36
ACACB O00763 2/20 0.34
GPR88 Q9GZN0 1/20 0.34
CRHR1 P34998 2/20 0.33
RPS6KB1 P23443 3/20 0.32
SLC2A1 P11166 2/20 0.32
AKT1 P31749 2/20 0.31

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
SCHEMBL9193841 0.85 CRHR1 (0.39) EGFRCRHR1RPS6KB1AKT1
SCHEMBL9869337 0.83 TDP1 (0.38) EGFRACACBGPR88CRHR1SLC2A1
SCHEMBL9523756 0.81 CRHR1 (0.39) EGFRACACBCRHR1RPS6KB1AKT1
SCHEMBL9084666 0.80 PTGER4 (0.40) EGFRCRHR1RPS6KB1
SCHEMBL9216328 0.80 AURKA (0.42) EGFRCRHR1RPS6KB1AKT1
SCHEMBL9524682 0.79 EGFR (0.36) EGFRACACBCRHR1RPS6KB1SLC2A1
SCHEMBL9775791 0.79 EGFR (0.36) EGFRACACBCRHR1RPS6KB1AKT1
SCHEMBL9215501 0.79 EGFR (0.36) EGFRCRHR1RPS6KB1AKT1
SCHEMBL9523823 0.79 CRHR1 (0.42) EGFRCRHR1RPS6KB1AKT1
SCHEMBL9836762 0.79 EGFR (0.36) EGFRACACBCRHR1RPS6KB1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985426-A AGRICULTURAL USE UBE INDUSTRIES, LTD. (JP) 1991-01-15 US claimed
EP-0264217-B1 ARALKYLAMINOPYRIMIDINE DERIVATIVE, PROCESS FOR PRODUCING THEREOF AND INSECTICIDE, ACARICIDE AND FUNGICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT UBE INDUSTRIES, LTD. (JP) 1993-06-30 EP disclosed
US-4985426-A AGRICULTURAL USE UBE INDUSTRIES, LTD. (JP) 1991-01-15 US disclosed
US-4895849-A Aralkylaminopyrimidine compounds which are useful as for producing thereof and insecticides UBE INDUSTRIES, LTD. (JP) 1990-01-23 US disclosed
EP-0264217-A2 Aralkylaminopyrimidine derivative, process for producing thereof and insecticide, acaricide and fungicide containing said derivative as active ingredient UBE INDUSTRIES, LTD. (JP) 1988-04-20 EP disclosed