SCHEMBL1921147

SCHEMBL1921147

CC(C)Cc1cc2c(NC3CCN(C(=O)O)C(C(C)(C)C)C3)ncnc2s1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 16/20 0.45
KMT2A Q03164 15/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
KDM1A O60341 2/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39

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
SCHEMBL1604873 0.85 MEN1 (0.53) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL5037731 0.79 MEN1 (0.55) MEN1KMT2AKDM4E
SCHEMBL1604853 0.79 MEN1 (0.49) MEN1KMT2AKDM4EALDH1A1PIK3CD
SCHEMBL1605074 0.75 MEN1 (0.45) MEN1KMT2AKDM4EALDH1A1
SCHEMBL12710412 0.74 KDM4E (0.72) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL1604052 0.74 MEN1 (0.70) MEN1KMT2AKDM4EALDH1A1KDM1A
SCHEMBL1604737 0.71 MEN1 (0.50) MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL1921562 0.70 KDM4E (0.51) MEN1KMT2AKDM4E
SCHEMBL1604871 0.70 MEN1 (0.52) MEN1KMT2AKDM4E
SCHEMBL1604971 0.70 MEN1 (0.49) MEN1KMT2AKDM4EKDM1AMAOA

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
EP-1622914-B1 NEW PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS TROVIS PHARMACEUTICALS LLC (US) 2011-06-01 EP disclosed