SCHEMBL23976902

SCHEMBL23976902

CN(CC(=O)NC(C)(C)C)c1nc(-c2cc(OCC(O)CF)ccn2)nc2c1CCC2

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 5/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
HDAC6 Q9UBN7 4/20 0.33
SLC2A1 P11166 3/20 0.33
SLC2A3 P11169 3/20 0.33
PDE10A Q9Y233 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
MAOB P27338 2/20 0.31

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
SCHEMBL30118579 1.00 MEN1 (0.34) MEN1POLBKMT2AMAPTHDAC1
SCHEMBL23976126 1.00 MEN1 (0.34) MEN1POLBKMT2AMAPTHDAC1
SCHEMBL30118733 0.94 MEN1 (0.34) MEN1POLBKMT2AHDAC1HDAC8
SCHEMBL23976031 0.94 MEN1 (0.34) MEN1POLBKMT2AHDAC1HDAC8
SCHEMBL30118749 0.94 MEN1 (0.34) MEN1POLBKMT2AHDAC1HDAC8
SCHEMBL23976030 0.94 MEN1 (0.34) MEN1POLBKMT2AHDAC1HDAC8
SCHEMBL23976034 0.94 MEN1 (0.34) MEN1POLBKMT2AHDAC1HDAC8
SCHEMBL30225149 0.94 MEN1 (0.34) MEN1POLBKMT2AHDAC1HDAC8
SCHEMBL24702392 0.93 MEN1 (0.34) MEN1POLBKMT2AHDAC1HDAC8
SCHEMBL23976174 0.93 MEN1 (0.34) MEN1POLBKMT2AHDAC1HDAC8

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
WO-2021222483-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed
WO-2021222363-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed