SCHEMBL4766601

SCHEMBL4766601

N#Cc1cnc(Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)nc1N1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.58
CDK2 P24941 1/20 0.58
CCNA1 P78396 1/20 0.58
ALDH1A1 P00352 5/20 0.51
LMNA P02545 4/20 0.51
POLB P06746 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
NR2F2 P24468 1/20 0.48
RAB9A P51151 1/20 0.48
CXCR4 P61073 1/20 0.46
NPC1 O15118 1/20 0.45
HTT P42858 3/20 0.45
SLC12A2 P55011 1/20 0.45
SLC12A5 Q9H2X9 1/20 0.45
TNK2 Q07912 2/20 0.45
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 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
SCHEMBL6220525 0.85 CCNA2 (0.60) CCNA2CDK2CCNA1ALDH1A1LMNA
SCHEMBL4766348 0.84 CCNA2 (0.59) CCNA2CDK2CCNA1ALDH1A1POLB
SCHEMBL4772085 0.83 CCNA2 (0.56) CCNA2CDK2CCNA1ALDH1A1LMNA
SCHEMBL4765289 0.83 CCNA2 (0.57) CCNA2CDK2CCNA1ALDH1A1LMNA
SCHEMBL4770586 0.82 CCNA2 (0.59) CCNA2CDK2CCNA1ALDH1A1LMNA
SCHEMBL4772639 0.82 CCNA2 (0.57) CCNA2CDK2CCNA1ALDH1A1LMNA
SCHEMBL4773508 0.82 CCNA2 (0.51) CCNA2CDK2CCNA1ALDH1A1LMNA
SCHEMBL4772200 0.82 CCNA2 (0.54) CCNA2CDK2CCNA1ALDH1A1LMNA
SCHEMBL24478140 0.81 CDK2 (0.47) CCNA2CDK2CCNA1
SCHEMBL5723348 0.81 CDK2 (0.61) CCNA2CDK2CCNA1ALDH1A1LMNA

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