SCHEMBL4770106

SCHEMBL4770106

N#Cc1cnc(Nc2ccc(S(=O)(=O)NCCN3CCCCC3)cc2)nc1NC1CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.53
SRC P12931 7/20 0.48
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
CDK1 P06493 1/20 0.45
KDR P35968 1/20 0.45
SIGMAR1 Q99720 4/20 0.44
PDGFRB P09619 3/20 0.43
YES1 P07947 1/20 0.43
EPHB4 P54760 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
SCHEMBL6219889 0.85 SRC (0.53) SRCCDK1KDRSIGMAR1PDGFRB
SCHEMBL4768085 0.84 SRC (0.49) SRCCDK1KDRPDGFRBYES1
SCHEMBL4766314 0.83 SYK (0.71) SYKJAK2JAK1CDK1
SCHEMBL4769132 0.82 SYK (0.64) SYKJAK2JAK1CDK1
SCHEMBL5723446 0.80 SRC (0.49) SRCCDK1KDRSIGMAR1PDGFRB
SCHEMBL4765289 0.80 CCNA2 (0.57) SYK
SCHEMBL4763434 0.79 SYK (0.67) SYKJAK2JAK1PDGFRB
SCHEMBL4764044 0.78 SYK (0.66) SYKJAK2JAK1
SCHEMBL4775395 0.78 SYK (0.60) SYKJAK2JAK1PDGFRB
SCHEMBL4772623 0.75 SYK (0.54) SYKJAK2JAK1

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