SCHEMBL4770586

SCHEMBL4770586

N#Cc1cnc(Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)nc1NCC1CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.59
CDK2 P24941 1/20 0.59
CCNA1 P78396 1/20 0.59
TNK2 Q07912 9/20 0.50
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
NR2F2 P24468 1/20 0.49
RAB9A P51151 1/20 0.49
PRKCQ Q04759 3/20 0.49
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
CXCR4 P61073 1/20 0.47
NPC1 O15118 1/20 0.46
CHEK1 O14757 1/20 0.46
JAK2 O60674 1/20 0.46
ABL1 P00519 1/20 0.46
LCK P06239 1/20 0.46
ROS1 P08922 1/20 0.46
FGFR1 P11362 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 0.96 CCNA2 (0.59) CCNA2CDK2CCNA1TNK2POLB
SCHEMBL4770109 0.90 CCNA2 (0.55) CCNA2CDK2CCNA1TNK2POLB
SCHEMBL4775363 0.89 CCNA2 (0.54) CCNA2CDK2CCNA1TNK2POLB
SCHEMBL4765289 0.89 CCNA2 (0.57) CCNA2CDK2CCNA1TNK2POLB
SCHEMBL4774308 0.88 CCNA2 (0.54) CCNA2CDK2CCNA1TNK2POLB
SCHEMBL4772160 0.88 CCNA2 (0.53) CCNA2CDK2CCNA1TNK2POLB
SCHEMBL4768919 0.86 CCNA2 (0.52) CCNA2CDK2CCNA1TNK2POLB
SCHEMBL6220525 0.86 CCNA2 (0.60) CCNA2CDK2CCNA1POLBSMN1; SMN2
SCHEMBL4766555 0.86 CCNA2 (0.53) CCNA2CDK2CCNA1TNK2POLB
SCHEMBL4763587 0.84 CCNA2 (0.50) CCNA2CDK2CCNA1TNK2POLB

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