SCHEMBL9197845

SCHEMBL9197845

CCCCCCCC(C)Nc1ncnc(CC)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.40
CCNB2 O95067 2/20 0.35
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
CCNB3 Q8WWL7 2/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
ADA P00813 4/20 0.33
PDE2A O00408 3/20 0.33
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8095407 0.85 CRHR1 (0.37) CCNB2CDK1CCNB1CCNB3SMN1; SMN2
SCHEMBL8596772 0.81 RPS6KB1 (0.39) RPS6KB1CCNB2CDK1CCNB1CCNB3
SCHEMBL8888015 0.81 RPS6KB1 (0.39) RPS6KB1CCNB2CDK1CCNB1CCNB3
SCHEMBL8708265 0.77 NPY5R (0.38) CCNB2CDK1CCNB1CCNB3CYP3A4
SCHEMBL9195275 0.77 CRHR1 (0.36) SMN1; SMN2KDM4E
SCHEMBL9774909 0.77 SMN1; SMN2 (0.51) CCNB2CDK1CCNB1CCNB3SMN1; SMN2
SCHEMBL9198886 0.75 CRHR1 (0.35) SMN1; SMN2KDM4E
SCHEMBL9198028 0.75 CRHR1 (0.38) SMN1; SMN2KDM4E
SCHEMBL9196334 0.74 CRHR1 (0.34) SMN1; SMN2KDM4E
SCHEMBL9694856 0.74 CRHR1 (0.34) SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2085263-A None JP disclosed
EP-0323757-B1 Alkylaminopyrimidine derivative, process for producing the same, and insecticide, acaricide and fungicide containing the same as active ingredient UBE INDUSTRIES (JP) 1995-05-10 EP disclosed
US-4931455-A Alkylaminopyrimidine derivative and insecticide, acaricide and fungicide containing the same as active ingredient UBE INDUSTRIES, LTD. (JP) 1990-06-05 US disclosed
JP-H0285263-A ALKYLAMINOPYRIMIDINE DERIVATIVE, ITS PRODUCTION AND INSECTICIDE, MITICIDE AND FUNGICIDE CONTAINING SAME DERIVATIVE AS ACTIVE COMPONENT UBE IND LTD 1990-03-26 JP disclosed