SCHEMBL1725530

SCHEMBL1725530

Cc1nn2c(ncc3cc(-c4ccccc4)c(-c4ccc([C@@H]5[C@@H](N)C[C@]5(O)C5CC5)cc4)nc32)c1-c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 5/20 0.38
RAB9A P51151 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
AKT1 P31749 6/20 0.36
AKT2 P31751 6/20 0.36
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PTPN11 Q06124 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL239482 0.82 AKT1 (0.48) AKT1AKT2
SCHEMBL239481 0.82 AKT1 (0.48) AKT1AKT2
SCHEMBL235235 0.75 AKT1 (0.48) NPC1RAB9AMEN1KMT2AAKT1
SCHEMBL235234 0.75 AKT1 (0.48) NPC1RAB9AMEN1KMT2AAKT1
SCHEMBL238558 0.75 AKT1 (0.50) NPC1RAB9AMEN1KMT2AAKT1
SCHEMBL238559 0.75 AKT1 (0.50) NPC1RAB9AMEN1KMT2AAKT1
SCHEMBL240042 0.73 MAPT (0.55) MAPTGAANPC1RAB9AMEN1
SCHEMBL2755184 0.73 MAPT (0.43) MAPTGAANPC1RAB9AMEN1
SCHEMBL238464 0.72 GAA (0.42) MAPTGAANPC1RAB9AMEN1
SCHEMBL238250 0.71 MAPT (0.55) MAPTGAANPC1RAB9AMEN1

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-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2012-01-18 EP claimed