SCHEMBL4772200

SCHEMBL4772200

N#CCCN(CCC#N)c1nc(Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)ncc1C#N

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.54
CDK2 P24941 1/20 0.54
CCNA1 P78396 1/20 0.54
POLB P06746 4/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 4/20 0.47
NR2F2 P24468 1/20 0.47
RAB9A P51151 1/20 0.47
CXCR4 P61073 1/20 0.45
NPC1 O15118 1/20 0.44
LMNA P02545 5/20 0.44
HTT P42858 4/20 0.44
SLC12A2 P55011 1/20 0.43
SLC12A5 Q9H2X9 1/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL4772696 0.92 CCNA2 (0.53) CCNA2CDK2CCNA1POLBSMN1; SMN2
SCHEMBL4772085 0.90 CCNA2 (0.56) CCNA2CDK2CCNA1POLBSMN1; SMN2
SCHEMBL4772150 0.85 POLB (0.47) CCNA2CDK2CCNA1POLBSMN1; SMN2
SCHEMBL4772639 0.84 CCNA2 (0.57) CCNA2CDK2CCNA1POLBSMN1; SMN2
SCHEMBL6220525 0.84 CCNA2 (0.60) CCNA2CDK2CCNA1POLBSMN1; SMN2
SCHEMBL4772147 0.83 CCNA2 (0.52) CCNA2CDK2CCNA1POLBSMN1; SMN2
SCHEMBL4766348 0.83 CCNA2 (0.59) CCNA2CDK2CCNA1POLBSMN1; SMN2
SCHEMBL4766601 0.82 CCNA2 (0.58) CCNA2CDK2CCNA1POLBSMN1; SMN2
SCHEMBL4765289 0.81 CCNA2 (0.57) CCNA2CDK2CCNA1POLBSMN1; SMN2
SCHEMBL4770586 0.81 CCNA2 (0.59) CCNA2CDK2CCNA1POLBSMN1; SMN2

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
EP-1303496-B9 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-19 EP disclosed
EP-1303496-B1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-12 EP disclosed