SCHEMBL3987449

SCHEMBL3987449

O=C(Nc1ccc(-c2cc(N3CCOCC3)nc(C3(C(F)F)Nc4ccccc4N3)n2)cc1)C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.46
JAK3 P52333 2/20 0.46
GBA1 P04062 3/20 0.42
SHMT2 P34897 2/20 0.41
AURKA O14965 2/20 0.41
AURKB Q96GD4 2/20 0.41
GLA P06280 1/20 0.41
RIPK1 Q13546 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MTOR P42345 2/20 0.40
PIK3CA P42336 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
MOK Q9UQ07 1/20 0.39
PDPK1 O15530 2/20 0.39

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
SCHEMBL3987968 0.89 JAK2 (0.51) JAK2JAK3GBA1AURKAAURKB
SCHEMBL3987459 0.87 JAK2 (0.41) JAK2JAK3AURKAAURKBMAPT
SCHEMBL3987596 0.86 MOK (0.38) AURKAAURKBMAPTKDM4EHSD17B10
SCHEMBL3992722 0.84 MOK (0.43) MAPTMTORPIK3CAMOK
SCHEMBL3988815 0.83 MOK (0.42) JAK2JAK3MAPTALDH1A1KDM4E
SCHEMBL3988357 0.83 AKT1 (0.43) JAK2JAK3MAPTKDM4EHSD17B10
SCHEMBL3990070 0.81 JAK2 (0.41) JAK2JAK3MAPTHSD17B10MTOR
SCHEMBL3984546 0.80 PIK3CD (0.39) JAK2JAK3MAPTALDH1A1MTOR
SCHEMBL3984371 0.78 MTOR (0.46) JAK2MAPTKDM4EHPGDHSD17B10
SCHEMBL3992366 0.77 PKM (0.42) MAPTALDH1A1KDM4EHPGDHSD17B10

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-2061784-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PHENYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2009-05-27 EP claimed
WO-2008032086-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PHENYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO claimed