SCHEMBL16995256

SCHEMBL16995256

Cc1nn2c(ncc3cc(-c4ccccc4)c(-c4ccccc4)nc32)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.39
AURKA O14965 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
GPR55 Q9Y2T6 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL237601 0.81 AKT1 (0.49)
SCHEMBL2755185 0.81 AKT1 (0.49)
SCHEMBL237602 0.81 AKT1 (0.49)
SCHEMBL234894 0.79 AKT1 (0.35)
SCHEMBL238843 0.79 AKT1 (0.42)
SCHEMBL2755366 0.79 AKT1 (0.35)
SCHEMBL234893 0.79 AKT1 (0.35)
SCHEMBL2755125 0.77 AKT1 (0.37)
SCHEMBL235451 0.72 NPC1 (0.46) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL239503 0.71 RAB9A (0.43) KMT2AMEN1RAB9ANPC1MAPT

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-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed