SCHEMBL5566816

SCHEMBL5566816

CC#CCOc1ncnc(C2CCCCCN2)c1F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.34
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
ADAM17 P78536 1/20 0.31
CDK1 P06493 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL5566658 0.89
SCHEMBL82296 0.73 JAK3 (0.33) CHRM3ADAM17
SCHEMBL6364198 0.70 CHRM3 (0.35) CHRM3
SCHEMBL82635 0.69 NPC1 (0.39)
SCHEMBL83739 0.68 CHRM3 (0.34) CHRM3
SCHEMBL83603 0.68 ACACB (0.37)
SCHEMBL83129 0.68 JAK3 (0.44)
SCHEMBL82993 0.67 ACACB (0.33)
SCHEMBL82991 0.67 ACACB (0.33)
SCHEMBL84225 0.67 ACACB (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809610-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS Sumitomo Chemical Company, Limited (JP) 2007-07-25 EP disclosed
WO-2006051891-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-05-18 WO disclosed