SCHEMBL28057522

SCHEMBL28057522

[CH]1CCN(c2ncnc3ccsc23)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.70
KIT P10721 2/20 0.51
ADRB2 P07550 3/20 0.47
ADRB1 P08588 3/20 0.47
ADRB3 P13945 3/20 0.47
AXL P30530 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
HRH4 Q9H3N8 2/20 0.45
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
HTT P42858 1/20 0.41
PDE4D Q08499 3/20 0.41
KDM4E B2RXH2 1/20 0.39
PTK2 Q05397 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
PDE4A P27815 1/20 0.38

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
SCHEMBL1601717 0.84 HTR2C (0.70) HTR2CKITADRB2ADRB1ADRB3
SCHEMBL190521 0.83 HTR2C (0.68) HTR2CKITPIK3R1PIK3CAKDM4E
SCHEMBL1601613 0.83 HTR2C (1.00) HTR2CKITADRB2ADRB1ADRB3
SCHEMBL12789863 0.80 HTR2C (0.65) HTR2CKITADRB2ADRB1ADRB3
SCHEMBL13034670 0.80 HTR2C (0.65) HTR2CKITADRB2ADRB1ADRB3
SCHEMBL4193100 0.80 HTR2C (0.65) HTR2CKITADRB2ADRB1ADRB3
SCHEMBL31337089 0.80 HTR2C (0.65) HTR2CKITADRB2ADRB1ADRB3
SCHEMBL14083387 0.79 HTR2C (0.63) HTR2CKITADRB2ADRB1ADRB3
SCHEMBL14107782 0.79 HTR2C (0.63) HTR2CKITADRB2ADRB1ADRB3
SCHEMBL12988760 0.77 HTR2C (0.60) HTR2CKITADRB2ADRB1ADRB3

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
CN-105339371-A Thieno[3,2-d]pyrimidine-6-carboxamides and analogues as sirtuin modulators GLAXOSMITHKLINE LLC 2016-02-17 CN disclosed