SCHEMBL27879438

SCHEMBL27879438

Nc1nc(N)c2ncn(-n3ccc(=O)[nH]c3=O)c2n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
CRBN Q96SW2 2/20 0.36
XDH P47989 9/20 0.34
AHCY P23526 1/20 0.33
CFTR P13569 1/20 0.32
GRM1 Q13255 1/20 0.31
HSP90B1 P14625 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
SCHEMBL2558880 0.82 PI4KA (0.44)
SCHEMBL4426345 0.81 XDH (0.54) XDH
SCHEMBL27983442 0.79 CDK1 (0.59) CDK1CCNB1CCNE1CDK2AHCY
SCHEMBL28788637 0.77 CDK1 (0.43) CDK1CCNB1CCNE1CDK2XDH
SCHEMBL1825531 0.76 XDH (0.51) CDK1CCNB1CCNE1CDK2XDH
SCHEMBL15789757 0.73 CDK1 (0.50) CDK1CCNB1CCNE1CDK2
SCHEMBL7197886 0.70 CDK1 (0.41) CDK1CCNB1CCNE1CDK2AHCY
SCHEMBL6013684 0.70 CDK1 (0.54) CDK1CCNB1CCNE1CDK2AHCY
SCHEMBL28426470 0.70 CRBN (0.58) CRBN
SCHEMBL6911224 0.69 ADORA2A (0.41) AHCY

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
CN-103243120-A Method for adjusting and controlling gene expression level of cytochrome P450 (CYP) and application thereof UNIV BEIJING 2013-08-14 CN disclosed
CN-102719434-A Specific modification for inhibiting RNA interference off-target effect BIOMICS BIOTECHNOLOGIES CO LTD 2012-10-10 CN disclosed