SCHEMBL9523153

SCHEMBL9523153

CCc1ncnc(NC(CC)c2ccc(OCC3CC3)cc2)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 5/20 0.39
KAT2B Q92831 1/20 0.38
EGFR P00533 2/20 0.36
ACACB O00763 2/20 0.35
RPS6KB1 P23443 2/20 0.34
AURKA O14965 1/20 0.34
FFAR1 O14842 1/20 0.34

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 0.81 EGFR (0.36) EGFRACACBRPS6KB1
SCHEMBL9775791 0.81 EGFR (0.36) EGFRACACBRPS6KB1AURKA
SCHEMBL9869337 0.81 TDP1 (0.38) GPR88EGFRACACB
SCHEMBL9523756 0.81 CRHR1 (0.39) EGFRACACBRPS6KB1AURKA
SCHEMBL9193841 0.81 CRHR1 (0.39) EGFRRPS6KB1
SCHEMBL9524057 0.80 EGFR (0.36) EGFRACACBRPS6KB1AURKA
SCHEMBL9526898 0.80 RPS6KB1 (0.39) EGFRACACBRPS6KB1AURKA
SCHEMBL9524384 0.80 EGFR (0.36) EGFRACACBRPS6KB1AURKA
SCHEMBL9523767 0.80 EGFR (0.36) EGFRACACBRPS6KB1AURKA
SCHEMBL9523772 0.80 EGFR (0.36) EGFRACACBRPS6KB1AURKA

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