SCHEMBL16631554

SCHEMBL16631554

CCn1cc2cc[nH]c2nc1=S

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCNK O75909 2/20 0.32
CDK12 Q9NYV4 2/20 0.32
AXL P30530 1/20 0.32
NUDT1 P36639 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
SCHEMBL16631757 0.80 ADORA2A (0.46) CCNKCDK12
SCHEMBL18081818 0.77 AXL (0.34) AXLNUDT1
SCHEMBL18080595 0.72 ADORA2A (0.34) AXLNUDT1
SCHEMBL16631753 0.62 ADORA2A (0.49) CCNKCDK12
SCHEMBL13183286 0.62 BRD4 (0.42) AXLNUDT1
SCHEMBL21418802 0.61 CDK1 (0.34)
SCHEMBL4167148 0.61 AXL (0.41) AXLNUDT1
SCHEMBL18081928 0.60 ADORA2A (0.50) AXL
SCHEMBL9409341 0.59 KDM4E (0.36)
SCHEMBL24794159 0.59 CCNK (0.37) CCNKCDK12AXL

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
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed