SCHEMBL5560085

SCHEMBL5560085

O=C(O)N1CCC(Nc2ncnc3sc(Cl)cc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.52
MEN1 O00255 3/20 0.48
PIK3CD O00329 9/20 0.46
PIK3CA P42336 7/20 0.46
KMT2A Q03164 2/20 0.46
PAK1 Q13153 2/20 0.45
CNR1 P21554 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CNR2 P34972 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44

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
SCHEMBL1603977 0.84 GPR119 (0.52) HTR2BPIK3CDPIK3CACNR1CNR2
SCHEMBL3356965 0.81 ALDH1A1 (0.49) HTR2BMEN1PIK3CDPIK3CAKMT2A
SCHEMBL1604873 0.81 MEN1 (0.53) MEN1PIK3CDPIK3CAKMT2AKDM4E
SCHEMBL29017074 0.80 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1605075 0.78 MEN1 (0.63) HTR2BMEN1KMT2AKDM4EIRAK4
SCHEMBL1605161 0.77 MEN1 (0.64) HTR2BMEN1KMT2ACNR1CNR2
SCHEMBL5310731 0.77 CNR1 (0.64) CNR1CNR2IRAK4
Hydrochloric Acid SCHEMBL1604783 0.77 MEN1 (0.62) HTR2BMEN1KMT2AKDM4EIRAK4
SCHEMBL1604780 0.76 HTR2B (0.65) HTR2BMEN1KMT2A
SCHEMBL3358824 0.75 MEN1 (0.54) HTR2BMEN1KMT2ACNR1CNR2

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