SCHEMBL9524682

SCHEMBL9524682

CCOCCOc1ccc(C(CC)Nc2ncnc(CC)c2Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.36
SLC2A1 P11166 2/20 0.36
ILK Q13418 1/20 0.34
CRHR1 P34998 2/20 0.34
FAAH O00519 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RPS6KB1 P23443 1/20 0.33
NCF1 P14598 1/20 0.32
ACACB O00763 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
SCHEMBL9869337 0.87 TDP1 (0.38) EGFRSLC2A1CRHR1FAAHACACB
SCHEMBL9524384 0.83 EGFR (0.36) EGFRCRHR1RPS6KB1ACACB
SCHEMBL9775791 0.82 EGFR (0.36) EGFRCRHR1RPS6KB1ACACB
SCHEMBL9523756 0.82 CRHR1 (0.39) EGFRCRHR1RPS6KB1ACACB
SCHEMBL9193841 0.82 CRHR1 (0.39) EGFRCRHR1RPS6KB1
SCHEMBL9523153 0.81 GPR88 (0.39) EGFRRPS6KB1ACACB
SCHEMBL9526898 0.81 RPS6KB1 (0.39) EGFRFAAHRPS6KB1ACACB
SCHEMBL9524057 0.81 EGFR (0.36) EGFRCRHR1RPS6KB1ACACB
SCHEMBL9084666 0.81 PTGER4 (0.40) EGFRCRHR1FAAHRPS6KB1
SCHEMBL9216328 0.81 AURKA (0.42) EGFRCRHR1RPS6KB1

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