SCHEMBL5029684

SCHEMBL5029684

c1ccc(CNc2cc(N3CCOCC3)ncn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 11/20 1.00
HRH4 Q9H3N8 1/20 0.73
PIK3CA P42336 5/20 0.63
NPC1 O15118 2/20 0.59
ALDH1A1 P00352 1/20 0.59
ATM Q13315 1/20 0.59
ACHE P22303 1/20 0.58
PKM P14618 2/20 0.57
HTT P42858 2/20 0.57
TSHR P16473 1/20 0.57
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
RAB9A P51151 1/20 0.56
JAK2 O60674 1/20 0.54
JAK1 P23458 1/20 0.54
EGFR P00533 1/20 0.51
ERBB3 P21860 1/20 0.51

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
SCHEMBL5029686 0.89 PIK3CB (0.80) PIK3CBHRH4NPC1ALDH1A1ACHE
SCHEMBL4896185 0.83 HRH4 (0.75) PIK3CBHRH4NPC1ACHETSHR
SCHEMBL27330852 0.80 ABL1 (0.66) PIK3CBNPC1ALDH1A1ATMHTT
SCHEMBL30818629 0.79 PIK3CB (0.65) PIK3CBHRH4NPC1ALDH1A1ATM
SCHEMBL30818713 0.78 PIK3CB (0.64) PIK3CBHRH4NPC1ALDH1A1ATM
SCHEMBL30818669 0.77 PIK3CB (0.63) PIK3CBHRH4NPC1ALDH1A1ATM
SCHEMBL14005278 0.77 HRH4 (0.73) PIK3CBHRH4ALDH1A1ACHETSHR
SCHEMBL1774199 0.77 HRH4 (0.66) PIK3CBHRH4ALDH1A1TSHR
SCHEMBL5031512 0.77 PIK3CB (0.62) PIK3CBHRH4NPC1ALDH1A1ATM
SCHEMBL14005277 0.77 HRH4 (0.65) PIK3CBHRH4NPC1ALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101438288-A Regulation of phosphoryl transferase activity of glutamine synthetase CSIR CORP (ZA) 2009-05-20 CN disclosed
EP-2008210-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2008-12-31 EP disclosed
WO-2007105023-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2007-09-20 WO disclosed
WO-2007105023-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2007-09-20 WO disclosed