SCHEMBL1717034

SCHEMBL1717034

C[C@H](NC(=O)c1ccc(Sc2ccc(NC(=O)OC(C)(C)C)cc2)c(Nc2ncnc3nc(C(C)(C)C)ccc23)c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
MAPK14 Q16539 2/20 0.38
PIM1 P11309 1/20 0.38
AKT2 P31751 1/20 0.38
FLT3 P36888 1/20 0.37
CDK1 P06493 1/20 0.35
PRMT1 Q99873 1/20 0.35

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
SCHEMBL1717038 1.00 MAPK1 (0.40) MAPK1MEN1LMNAKMT2AAURKA
SCHEMBL1456451 0.93 PIM1 (0.46) MAPK1AURKAAURKBMAPK14PIM1
SCHEMBL1456453 0.93 PIM1 (0.46) MAPK1AURKAAURKBMAPK14PIM1
SCHEMBL1454811 0.92 AURKA (0.39) MAPK1AURKAAURKBMAPK14PIM1
SCHEMBL1456055 0.92 AURKA (0.39) MAPK1AURKAAURKBMAPK14PIM1
SCHEMBL1454812 0.92 AURKA (0.39) MAPK1AURKAAURKBMAPK14PIM1
SCHEMBL1456327 0.88 MEN1 (0.44) MAPK1MEN1LMNAKMT2AMAPK14
SCHEMBL1456325 0.88 MEN1 (0.44) MAPK1MEN1LMNAKMT2AMAPK14
SCHEMBL1455204 0.88 KDM4E (0.41) AURKAAURKBPIM1AKT2CDK1
SCHEMBL1455481 0.87 AURKA (0.36) MEN1KMT2AAURKAAURKBMAPK14

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed