SCHEMBL10135166

SCHEMBL10135166

CN(C)CCNc1nc2cc(C#N)ccc2c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 4/20 0.63
TOP2A P11388 3/20 0.50
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
TLR9 Q9NR96 1/20 0.47
NCF1 P14598 2/20 0.47
POLB P06746 1/20 0.46
RAD52 P43351 1/20 0.46
SMARCA2 P51531 1/20 0.46
SLC2A1 P11166 1/20 0.45
GAA P10253 1/20 0.45
ALPG P10696 1/20 0.45
TOP1 P11387 1/20 0.45
ACP1 P24666 1/20 0.44
KAT2B Q92831 1/20 0.43
FLT3 P36888 2/20 0.43

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
SCHEMBL8785935 0.86 CSNK2A1 (0.66) CSNK2A1TOP2ACSNK2A2CSNK2BPOLB
SCHEMBL10134791 0.86 CSNK2A1 (0.47) CSNK2A1TOP2ACSNK2A2CSNK2BTLR9
SCHEMBL10134876 0.81 CSNK2A1 (0.54) CSNK2A1TOP2ACSNK2A2CSNK2BNCF1
SCHEMBL10132891 0.81 CSNK2A1 (0.66) CSNK2A1TOP2ACSNK2A2CSNK2BFLT3
SCHEMBL2688023 0.81 RAD52 (0.51) CSNK2A1TOP2ATLR9NCF1POLB
SCHEMBL2691596 0.80 CSNK2A1 (0.45) CSNK2A1TOP2ACSNK2A2CSNK2BTLR9
SCHEMBL4971024 0.77 CSNK2A1 (1.00) CSNK2A1TOP2ACSNK2A2CSNK2BTLR9
SCHEMBL10134952 0.75 CSNK2A1 (0.58) CSNK2A1TOP2ACSNK2A2CSNK2BPOLB
SCHEMBL13056932 0.74 KDM4E (0.48) CSNK2A1TOP2ACSNK2A2CSNK2BNCF1
SCHEMBL10135169 0.74 CSNK2A1 (0.59) CSNK2A1CSNK2A2CSNK2B

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
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed