SCHEMBL16239334

SCHEMBL16239334

O=S(=O)(Nc1nc2ccccc2nc1Nc1cccc(O)c1)c1cc[c]cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.70
KDM4E B2RXH2 6/20 0.70
CDC25A P30304 1/20 0.57
CDC25B P30305 1/20 0.57
CTNNB1 P35222 1/20 0.56
MEN1 O00255 8/20 0.56
KMT2A Q03164 8/20 0.56
GAA P10253 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 3/20 0.56
HTT P42858 3/20 0.56
POLB P06746 3/20 0.56
ALDH1A1 P00352 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
HPGD P15428 2/20 0.56
RECQL P46063 1/20 0.56
PIK3CA P42336 2/20 0.54
PIM1 P11309 1/20 0.53
MAPK1 P28482 2/20 0.52
GLA P06280 1/20 0.52

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
SCHEMBL1791384 0.90 MAPT (0.76) MAPTKDM4ECDC25ACDC25BCTNNB1
SCHEMBL1789260 0.86 MAPT (0.77) MAPTKDM4ECDC25ACDC25BCTNNB1
SCHEMBL1791160 0.86 CDC25A (0.77) MAPTKDM4ECDC25ACDC25BCTNNB1
SCHEMBL1789236 0.82 MAPT (1.00) MAPTKDM4ECTNNB1MEN1KMT2A
SCHEMBL4564728 0.81 MAPT (0.68) MAPTKDM4ECDC25ACDC25BCTNNB1
SCHEMBL4564217 0.80 BACE1 (0.64) MAPTKDM4ECDC25ACDC25BMEN1
SCHEMBL4564720 0.80 MAPT (0.58) MAPTKDM4ECTNNB1MEN1KMT2A
SCHEMBL188789 0.79 MEN1 (0.73) MAPTKDM4ECDC25ACDC25BCTNNB1
SCHEMBL27963145 0.78 PIK3CD (0.78) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL1790540 0.78 MAPT (0.76) MAPTKDM4ECDC25ACDC25BCTNNB1

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
US-8889664-B2 Phosphatidylinositol 3-kinase inhibitors and methods of their use EXELIXIS, INC. (US) 2014-11-18 US disclosed