SCHEMBL2394625

SCHEMBL2394625

CSc1ccc(-c2sc(Nc3cnccn3)nc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
GAA P10253 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KDR P35968 1/20 0.42
PIK3CA P42336 4/20 0.39
PIK3CG P48736 4/20 0.39
PIK3CD O00329 3/20 0.39
PIK3CB P42338 3/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL1888443 0.86 NPC1 (0.48) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL2400510 0.81 MEN1 (0.41) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL2396335 0.81 PIK3CD (0.57) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL2395755 0.81 MEN1 (0.60) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL2395910 0.80 MEN1 (0.60) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL2398099 0.79 MEN1 (0.45) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL1891863 0.77 KDR (0.41) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL2395328 0.76 KDR (0.49) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL2395311 0.75 PIK3C2G (0.42) KMT2AMEN1ALDH1A1PIK3CAPIK3CG
SCHEMBL2398117 0.73 PIK3CD (0.50) KMT2AMEN1PIK3CAPIK3CGPIK3CD

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-8017608-B2 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2011-09-13 US disclosed