SCHEMBL8095407

SCHEMBL8095407

CCCCCCCCC(CC)Nc1ncnc(CC)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.37
PDE1B Q01064 2/20 0.34
TLR8 Q9NR97 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1C Q14123 1/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
S1PR2 O95136 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL9195275 0.92 CRHR1 (0.36) CRHR1PDE1BSMN1; SMN2KDM4ENPC1
SCHEMBL9200905 0.91 CRHR1 (0.36) CRHR1PDE1BSMN1; SMN2KDM4ENPC1
SCHEMBL9192875 0.90 KDM4E (0.35) CRHR1PDE1BSMN1; SMN2KDM4ENPC1
SCHEMBL9198028 0.90 CRHR1 (0.38) CRHR1PDE1BSMN1; SMN2KDM4ENPC1
SCHEMBL9198886 0.90 CRHR1 (0.35) CRHR1PDE1BSMN1; SMN2KDM4ENPC1
SCHEMBL9196334 0.88 CRHR1 (0.34) CRHR1PDE1BSMN1; SMN2KDM4ENPC1
SCHEMBL9694856 0.88 CRHR1 (0.34) CRHR1PDE1BSMN1; SMN2KDM4ENPC1
SCHEMBL9198645 0.87 PDE1B (0.37) CRHR1PDE1BSMN1; SMN2KDM4ENPC1
SCHEMBL9200684 0.86 CRHR1 (0.33) CRHR1PDE1BSMN1; SMN2KDM4ENPC1
SCHEMBL9197845 0.85 RPS6KB1 (0.40) SMN1; SMN2KDM4ECCNB2CDK1CCNB1

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-2000169310-A ACARICIDE COMPOSITION SUMITOMO CHEM CO LTD 2000-06-20 JP disclosed
WO-1998014434-A1 4-SUBSTITUTED 5-CHLORO-6-ALKYLPYRIMIDINE COMPOUNDS, PROCESS FOR THE PREPARATION OF THEM, AND PESTICIDE OR ACARICIDE COMPOSITIONS CONTAINING THE SAME UBE INDUSTRIES, LTD. (JP) 1998-04-09 WO 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