SCHEMBL28770511

SCHEMBL28770511

NCc1nc(O)c2[nH]cnc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.42
▸ GDA Q9Y2T3 1/20 0.42
▸ CDK2 P24941 8/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ PNP P00491 1/20 0.39
▸ MGMT P16455 7/20 0.37
▸ CDK1 P06493 7/20 0.37
▸ CCNB1 P14635 7/20 0.37
▸ CCNA2 P20248 7/20 0.37
▸ CCNA1 P78396 7/20 0.37
▸ MAP3K5 Q99683 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ PIN1 Q13526 1/20 0.36
▸ BRAF P15056 1/20 0.35

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
SCHEMBL11133893 0.82 CDK1 (0.40) PDPK1GDACDK2MGMTCDK1
SCHEMBL17060283 0.80 PDPK1 (0.61) PDPK1GDACDK2DPP4PNP
SCHEMBL16146399 0.79 CDK1 (0.41) CDK2MGMTCDK1CCNB1CCNA2
SCHEMBL5466587 0.77 ADORA3 (0.46) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL16146158 0.76 PDE4A (0.64) CDK2MGMTCDK1CCNB1CCNA2
Guanine SCHEMBL122461 0.76 PDPK1 (0.66) PDPK1GDACDK2DPP4MGMT
Xanthine SCHEMBL4966 0.75 GDA (0.44) PDPK1GDACDK2DPP4PNP
Xanthine SCHEMBL9443819 0.75 GDA (0.44) PDPK1GDACDK2DPP4PNP
Xanthine SCHEMBL7044234 0.73 GDA (0.42) PDPK1GDACDK2DPP4PNP
SCHEMBL1009011 0.72 XDH (0.56) PDPK1GDACDK2DPP4

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
CN-101111607-A Highly Orthogonal Universal Sequences for Nucleic Acid Analysis SIEMENS MEDICAL SOLUTIONS DIAG (US) 2008-01-23 — — CN disclosed
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