SCHEMBL5563569

SCHEMBL5563569

N#Cc1ccc(F)c(CCN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.66
MEN1 O00255 18/20 0.49
KMT2A Q03164 13/20 0.49
PIK3CD O00329 1/20 0.43

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
SCHEMBL1604937 0.91 HTR2B (0.73) HTR2BMEN1KMT2A
Prx-08066 Free Base SCHEMBL29390783 0.79 HTR2B (1.00) HTR2BMEN1KMT2APIK3CD
Prx-08066 Free Base SCHEMBL31237398 0.79 HTR2B (1.00) HTR2BMEN1KMT2APIK3CD
Prx-08066 Free Base SCHEMBL1604039 0.79 HTR2B (1.00) HTR2BMEN1KMT2APIK3CD
SCHEMBL1604017 0.79 HTR2B (0.67) HTR2BMEN1KMT2A
SCHEMBL1604942 0.79 HTR2B (0.72) HTR2BMEN1KMT2A
SCHEMBL14703360 0.74 HTR2B (0.46) HTR2BMEN1KMT2APIK3CD
SCHEMBL14703321 0.74 HTR2B (0.46) HTR2BMEN1KMT2APIK3CD
Prx-08066 Free Base SCHEMBL29520105 0.74 HTR2B (0.86) HTR2BMEN1KMT2APIK3CD
SCHEMBL1604143 0.73 HTR2B (0.69) HTR2BMEN1KMT2A

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-1797099-A1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS Epix Delaware, Inc. (US) 2007-06-20 EP disclosed
WO-2006034511-A1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS EPIX DELAWARE, INC. (US) 2006-03-30 WO disclosed