SCHEMBL13347013

SCHEMBL13347013

Cn1nnc2c(N)nc(N)nc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.41
CCNB1 P14635 3/20 0.41
CCNE1 P24864 3/20 0.41
CDK2 P24941 3/20 0.41
PTPN1 P18031 2/20 0.34
ADORA2A P29274 2/20 0.32
PDE8B O95263 3/20 0.31
PTPRF P10586 1/20 0.31
PTPRA P18433 1/20 0.31
PTPN11 Q06124 1/20 0.31
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL14102236 0.75 CDK1 (0.49) CDK1CCNB1CCNE1CDK2PDE8B
SCHEMBL22704876 0.75 CDK1 (0.38) CDK1CCNB1CCNE1CDK2
SCHEMBL13788521 0.72 TP53 (0.30)
SCHEMBL763189 0.69 ADORA2A (0.53) ADORA2AADORA3
SCHEMBL4841951 0.67 DHFR (0.36) CDK1CCNB1CCNE1CDK2
SCHEMBL4046792 0.66 PNP (0.51)
SCHEMBL7940046 0.62 ADORA2A (0.48) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL25423776 0.62 CDK1 (0.37) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL16259901 0.61 ALDH1A1 (0.41)
SCHEMBL14471200 0.60 LRRK2 (0.33) CDK1CCNB1CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718374-B2 Single nucleotide polymorphism analysis of highly polymorphic target sequences ELITECH HOLDING B.V. (NL) 2010-05-18 US disclosed
US-20090087922-A1 SINGLE NUCLEOTIDE POLYMORPHISM ANALYSIS OF HIGHLY POLYMORPHIC TARGET SEQUENCES EPOCH BIOSCIENCES, INC. (US) 2009-04-02 US disclosed
US-7348146-B2 Single nucleotide polymorphism analysis of highly polymorphic target sequences EPOCH BIOSCIENCES, INC. (US) 2008-03-25 US disclosed