SCHEMBL539284

SCHEMBL539284

c1ccc(-c2cn3ncc(-c4ccccc4)c3nc2-c2ccc(NC3CCC3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
NR2F2 P24468 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PIM1 P11309 10/20 0.41
PIM2 Q9P1W9 5/20 0.41
ADORA1 P30542 1/20 0.39
KDR P35968 4/20 0.38
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
CAMKK1 Q8N5S9 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVR1 Q04771 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37

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
SCHEMBL538092 0.81 ADORA1 (0.39) MEN1NPC1NR2F2RAB9AKMT2A
SCHEMBL538833 0.80 AKT1 (0.37) MEN1NPC1NR2F2RAB9AKMT2A
SCHEMBL538716 0.76 AKT1 (0.41) MEN1KMT2AMAPTALDH1A1AKT1
SCHEMBL538266 0.76 AKT1 (0.40) MEN1NPC1RAB9AKMT2AMAPT
SCHEMBL538519 0.76 AKT1 (0.48) MEN1NPC1NR2F2RAB9AKMT2A
SCHEMBL867572 0.74 AKT1 (0.63) AKT1
SCHEMBL538545 0.74 AKT1 (0.38) MAPTADORA1AKT1AKT2
SCHEMBL538827 0.74 ALOX5 (0.45) MEN1NPC1RAB9AKMT2AMAPT
SCHEMBL538707 0.74 MAP4K4 (0.42) MEN1KMT2AMAPTALDH1A1PIM1
SCHEMBL538122 0.74 ALOX5 (0.43) MAPTALDH1A1ADORA1AKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2413932-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114780-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed