SCHEMBL3984546

SCHEMBL3984546

N#CCCNCC(=O)Nc1ccc(-c2cc(N3CCOCC3)nc(C3(C(F)F)Nc4ccccc4N3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.39
PIK3CB P42338 4/20 0.39
PIK3CA P42336 3/20 0.39
JAK1 P23458 2/20 0.39
JAK3 P52333 2/20 0.39
CYP3A4 P08684 2/20 0.39
JAK2 O60674 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
AKT1 P31749 8/20 0.38
MOK Q9UQ07 5/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MTOR P42345 2/20 0.36
PIK3CG P48736 1/20 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
SCHEMBL3992722 0.86 MOK (0.43) PIK3CDPIK3CBPIK3CACYP3A4NPC1
SCHEMBL3988815 0.80 MOK (0.42) PIK3CDPIK3CBPIK3CAJAK3JAK2
SCHEMBL3990070 0.80 JAK2 (0.41) PIK3CDPIK3CBPIK3CAJAK3CYP3A4
SCHEMBL3987449 0.80 JAK2 (0.46) PIK3CAJAK1JAK3JAK2MOK
SCHEMBL3988357 0.80 AKT1 (0.43) PIK3CDPIK3CBPIK3CAJAK3JAK2
SCHEMBL3987968 0.79 JAK2 (0.51) PIK3CDPIK3CBPIK3CAJAK1JAK3
SCHEMBL3987596 0.79 MOK (0.38) PIK3CDPIK3CBPIK3CACYP3A4NPC1
SCHEMBL3987459 0.78 JAK2 (0.41) PIK3CDPIK3CBPIK3CAJAK1JAK3
SCHEMBL4527319 0.78 PIK3CB (0.55) PIK3CDPIK3CBPIK3CAALDH1A1MAPT
SCHEMBL3985383 0.77 HPGDS (0.52)

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