SCHEMBL4770616

SCHEMBL4770616

CCCCNc1nc(Nc2ccc(S(=O)(=O)NCCc3ccccn3)cc2)ncc1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
PTK2 Q05397 1/20 0.46
PTK2B Q14289 1/20 0.46
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 3/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
JAK3 P52333 1/20 0.41
FLT3 P36888 2/20 0.41
TYRO3 Q06418 2/20 0.41
MERTK Q12866 2/20 0.41
GAS6 Q14393 2/20 0.41
AXL P30530 1/20 0.41
AURKA O14965 1/20 0.41
KMT2A Q03164 4/20 0.41

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
SCHEMBL4774410 0.93 RAB9A (0.52) RAB9APTK2PTK2BALDH1A1HPGD
SCHEMBL6226667 0.83 RAB9A (0.52) RAB9APTK2PTK2BATMNPC1
SCHEMBL4772259 0.83 KMT2A (0.42) ALDH1A1HPGDKDM4EMAPTCASP1
SCHEMBL4768575 0.83 CHEK1 (0.46) ALDH1A1HPGDKDM4EMAPTCASP1
SCHEMBL4769260 0.81 CA2 (0.48) PTK2AURKACA1CA2CA9
SCHEMBL4768085 0.81 SRC (0.49) MERTKCA2CA9PLK1PLK3
SCHEMBL4763831 0.80 ALDH1A1 (0.52) ALDH1A1HPGDKDM4ECASP1CASP7
SCHEMBL4763724 0.80 CA2 (0.47) RAB9AAURKANPC1CA1CA2
SCHEMBL4768143 0.79 SYK (0.53) AURKACA2CA9PLK1PLK3
SCHEMBL4770543 0.79 CA2 (0.42) ALDH1A1HPGDKDM4EMAPTCASP1

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