SCHEMBL4768575

SCHEMBL4768575

CCCCNc1nc(Nc2ccc(S(=O)(=O)NCCNC(C)C)cc2)ncc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.46
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 2/20 0.42
PLK1 P53350 3/20 0.42
PLK3 Q9H4B4 3/20 0.42
PLK2 Q9NYY3 3/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
AURKA O14965 1/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL4772259 0.86 KMT2A (0.42) CHEK1KMT2AALDH1A1HPGDMEN1
SCHEMBL4768085 0.85 SRC (0.49) PLK1PLK3PLK2CA2CA9
SCHEMBL4769260 0.84 CA2 (0.48) CHEK1CA1CA2CA9AURKA
SCHEMBL4770543 0.83 CA2 (0.42) CHEK1KMT2AALDH1A1HPGDMEN1
SCHEMBL4772257 0.83 CA2 (0.41) CHEK1CA1CA2CA9AURKA
SCHEMBL6221016 0.83 NPC1 (0.53) CA2CA9MAPTCDK2CCNT1
SCHEMBL4763724 0.83 CA2 (0.47) CHEK1CA1CA2CA9AURKA
SCHEMBL4770616 0.83 RAB9A (0.48) KMT2AALDH1A1HPGDMEN1PLK1
SCHEMBL4763965 0.82 CHEK1 (0.41) CHEK1KMT2AALDH1A1HPGDMEN1
SCHEMBL4763831 0.81 ALDH1A1 (0.52) KMT2AALDH1A1HPGDMEN1PLK1

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