SCHEMBL4768085

SCHEMBL4768085

CCCCNc1nc(Nc2ccc(S(=O)(=O)NCCN3CCCC3)cc2)ncc1C#N

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 16/20 0.49
PLK1 P53350 1/20 0.46
PLK3 Q9H4B4 1/20 0.46
PLK2 Q9NYY3 1/20 0.46
PDGFRB P09619 5/20 0.44
YES1 P07947 1/20 0.44
EPHB4 P54760 1/20 0.44
CDK1 P06493 1/20 0.44
KDR P35968 1/20 0.44
MERTK Q12866 1/20 0.43
CA12 O43570 1/20 0.43
ABL1 P00519 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 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
SCHEMBL4768575 0.85 CHEK1 (0.46) PLK1PLK3PLK2CDK1KDR
SCHEMBL4770106 0.84 SYK (0.53) SRCPDGFRBYES1EPHB4CDK1
SCHEMBL4772259 0.83 KMT2A (0.42) PLK1PLK3PLK2CDK1KDR
SCHEMBL4763831 0.83 ALDH1A1 (0.52) PLK1PLK3PLK2
SCHEMBL6219889 0.82 SRC (0.53) SRCPDGFRBYES1EPHB4CDK1
SCHEMBL4769260 0.82 CA2 (0.48) CDK1KDRCA2CA9
SCHEMBL4774308 0.81 CCNA2 (0.54) SRCABL1
SCHEMBL4763724 0.81 CA2 (0.47) CDK1KDRCA2CA9
SCHEMBL4770616 0.81 RAB9A (0.48) PLK1PLK3PLK2MERTKCA2
SCHEMBL4770543 0.80 CA2 (0.42) CDK1KDRABL1CA2CA9

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