SCHEMBL9524384

SCHEMBL9524384

CCOC(COc1ccc(C(CC)Nc2ncnc(CC)c2Cl)cc1)OCC

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.36
CRHR1 P34998 2/20 0.33
RPS6KB1 P23443 2/20 0.32
AKT1 P31749 1/20 0.31
ACACB O00763 1/20 0.30
AURKA O14965 1/20 0.30
P2RX3 P56373 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
SCHEMBL9524682 0.83 EGFR (0.36) EGFRCRHR1RPS6KB1ACACB
SCHEMBL9775791 0.81 EGFR (0.36) EGFRCRHR1RPS6KB1AKT1ACACB
SCHEMBL9869337 0.81 TDP1 (0.38) EGFRCRHR1ACACB
SCHEMBL9523756 0.81 CRHR1 (0.39) EGFRCRHR1RPS6KB1AKT1ACACB
SCHEMBL9193841 0.81 CRHR1 (0.39) EGFRCRHR1RPS6KB1AKT1
SCHEMBL9524057 0.80 EGFR (0.36) EGFRCRHR1RPS6KB1AKT1ACACB
SCHEMBL9523153 0.80 GPR88 (0.39) EGFRRPS6KB1ACACBAURKA
SCHEMBL9212072 0.80 EGFR (0.36) EGFRCRHR1RPS6KB1AKT1ACACB
SCHEMBL9526898 0.80 RPS6KB1 (0.39) EGFRRPS6KB1AKT1ACACBAURKA
SCHEMBL9084666 0.80 PTGER4 (0.40) EGFRCRHR1RPS6KB1AURKA

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