SCHEMBL4765289

SCHEMBL4765289

N#Cc1cnc(Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)nc1NC1CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.57
CDK2 P24941 1/20 0.57
CCNA1 P78396 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 4/20 0.50
POLB P06746 2/20 0.50
NR2F2 P24468 1/20 0.50
RAB9A P51151 1/20 0.50
SYK P43405 5/20 0.49
CXCR4 P61073 1/20 0.48
TNK2 Q07912 1/20 0.47
NPC1 O15118 1/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
SLC12A2 P55011 1/20 0.46
SLC12A5 Q9H2X9 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL4766348 0.91 CCNA2 (0.59) CCNA2CDK2CCNA1SMN1; SMN2ALDH1A1
SCHEMBL4770586 0.89 CCNA2 (0.59) CCNA2CDK2CCNA1SMN1; SMN2ALDH1A1
SCHEMBL4770109 0.87 CCNA2 (0.55) CCNA2CDK2CCNA1SMN1; SMN2ALDH1A1
SCHEMBL6220525 0.86 CCNA2 (0.60) CCNA2CDK2CCNA1SMN1; SMN2ALDH1A1
SCHEMBL4775363 0.86 CCNA2 (0.54) CCNA2CDK2CCNA1SMN1; SMN2ALDH1A1
SCHEMBL4774308 0.86 CCNA2 (0.54) CCNA2CDK2CCNA1SMN1; SMN2ALDH1A1
SCHEMBL4772160 0.85 CCNA2 (0.53) CCNA2CDK2CCNA1SMN1; SMN2ALDH1A1
SCHEMBL4768919 0.84 CCNA2 (0.52) CCNA2CDK2CCNA1SMN1; SMN2ALDH1A1
SCHEMBL4766555 0.83 CCNA2 (0.53) CCNA2CDK2CCNA1SMN1; SMN2ALDH1A1
SCHEMBL4772085 0.83 CCNA2 (0.56) CCNA2CDK2CCNA1SMN1; SMN2ALDH1A1

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