SCHEMBL6991810

SCHEMBL6991810

OC1CCC(Nc2ncc3ncnc(Nc4cccc(OCc5ccccc5)c4)c3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.49
CSNK2A1 P68400 4/20 0.46
MAPK8 P45983 2/20 0.46
MAPK9 P45984 2/20 0.46
CDK1 P06493 1/20 0.46
EGFR P00533 6/20 0.46
ERBB2 P04626 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
MAPKAPK2 P49137 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
FLT3 P36888 3/20 0.45
TYRO3 Q06418 3/20 0.45
MERTK Q12866 3/20 0.45
GAS6 Q14393 3/20 0.45
SYK P43405 1/20 0.44
CSNK2A2 P19784 3/20 0.42
CSNK2B P67870 3/20 0.42

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
SCHEMBL6991823 1.00 BRAF (0.49) BRAFCSNK2A1MAPK8MAPK9CDK1
SCHEMBL6994075 0.90 EGFR (0.51) BRAFMAPK8MAPK9EGFRERBB2
SCHEMBL6994082 0.90 EGFR (0.51) BRAFMAPK8MAPK9EGFRERBB2
SCHEMBL6994605 0.89 BRAF (0.51) BRAFCSNK2A1MAPK8MAPK9CDK1
SCHEMBL6994609 0.89 BRAF (0.51) BRAFCSNK2A1MAPK8MAPK9CDK1
SCHEMBL6993773 0.86 BRAF (0.53) BRAFMAPK8MAPK9CDK1EGFR
SCHEMBL6993782 0.86 BRAF (0.53) BRAFMAPK8MAPK9CDK1EGFR
SCHEMBL6998715 0.84 BRAF (0.50) BRAFCSNK2A1CDK1EGFRERBB2
SCHEMBL8317921 0.84 BRAF (0.52) BRAFCSNK2A1MAPK8MAPK9CDK1
SCHEMBL8317917 0.84 BRAF (0.52) BRAFCSNK2A1MAPK8MAPK9CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888351-B1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION THOMAE GMBH DR K (DE) 2003-10-15 EP disclosed