SCHEMBL1724787

SCHEMBL1724787

COC(=O)c1ccc(-c2ccncc2NC(C)C)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 2/20 0.47
AOC1 P19801 2/20 0.39
AOC3 Q16853 2/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
NCOA1 Q15788 2/20 0.38
NCOA3 Q9Y6Q9 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2A6 P11509 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GLA P06280 2/20 0.37
GAA P10253 2/20 0.37

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
SCHEMBL614610 0.90 MKNK1 (0.49) IL2AOC1AOC3MKNK1MKNK2
SCHEMBL614603 0.86 IL2 (0.49) IL2MKNK1MKNK2NCOA1NCOA3
SCHEMBL1725706 0.82 IL2 (0.47) IL2AOC1AOC3MKNK1MKNK2
SCHEMBL613989 0.81 KDM6B (0.49) IL2MKNK1MKNK2NCOA1NCOA3
SCHEMBL613187 0.79 ALDH1A1 (0.54) IL2MKNK1MKNK2NCOA1NCOA3
SCHEMBL29165231 0.79 IL2 (0.47) IL2MKNK1MKNK2NCOA1NCOA3
SCHEMBL1724875 0.79 KDM4C (0.51) IL2MKNK1MKNK2NCOA1NCOA3
SCHEMBL612008 0.78 KDM4C (0.51) IL2MKNK1MKNK2CYP3A4KDM4E
SCHEMBL1724808 0.75 KDM4C (0.53) IL2MKNK1MKNK2CYP3A4CYP2C9
SCHEMBL5238765 0.72 HDAC3 (0.66) MKNK1MKNK2NCOA1NCOA3NPSR1

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-2403857-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-01-11 EP disclosed
WO-2010101302-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-10 WO disclosed