SCHEMBL5037877

SCHEMBL5037877

CC(C)Cc1cc2c(NC3CCN(CCc4c(F)cc(F)cc4F)CC3)ncnc2s1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 18/20 0.57
KMT2A Q03164 17/20 0.57
KDM4E B2RXH2 1/20 0.47
HTR2B P41595 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
SCHEMBL5037818 0.93 MEN1 (0.59) MEN1KMT2AKDM4E
SCHEMBL5043027 0.90 MEN1 (0.60) MEN1KMT2AKDM4E
SCHEMBL5034037 0.85 MEN1 (0.64) MEN1KMT2AKDM4E
SCHEMBL1604971 0.84 MEN1 (0.49) MEN1KMT2AKDM4EHTR2B
SCHEMBL1604737 0.81 MEN1 (0.50) MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL1921562 0.80 KDM4E (0.51) MEN1KMT2AKDM4E
SCHEMBL1604873 0.78 MEN1 (0.53) MEN1KMT2AKDM4E
SCHEMBL1604871 0.78 MEN1 (0.52) MEN1KMT2AKDM4E
SCHEMBL5037731 0.78 MEN1 (0.55) MEN1KMT2AKDM4E
SCHEMBL12710412 0.77 KDM4E (0.72) MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622914-A4 NEW PIPERIDINYLAMINO-THIENO 2,3-D PYRIMIDINE COMPOUNDS EPIX DELAWARE INC (US) 2008-03-12 EP disclosed
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
EP-1622914-A2 NEW PIPERIDINYLAMINO-THIENO 2,3-D PYRIMIDINE COMPOUNDS Predix Pharmaceuticals Holdings, Inc. (US) 2006-02-08 EP disclosed
WO-2004089312-A2 NEW PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2004-10-21 WO disclosed