SCHEMBL23976305

SCHEMBL23976305

CC(C(=O)NC(C)(C)C)N(C)c1nc(Cl)nc2c1CCC2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL23975757 1.00 NPSR1 (0.39) NPSR1USP2MEN1KMT2ATSHR
SCHEMBL23975781 0.88 NPSR1 (0.38) NPSR1USP2MEN1KMT2ATSHR
SCHEMBL23975784 0.88 NPSR1 (0.38) NPSR1USP2MEN1KMT2ATSHR
SCHEMBL30225054 0.82 NPSR1 (0.38) NPSR1USP2MEN1KMT2ATSHR
SCHEMBL23975749 0.82 POLB (0.39) NPSR1USP2MEN1KMT2ATSHR
SCHEMBL23976302 0.81 NPSR1 (0.39) NPSR1USP2MEN1KMT2ATSHR
SCHEMBL23975800 0.81 POLB (0.39) NPSR1MEN1KMT2ATSHRPOLB
SCHEMBL23975635 0.81 POLB (0.39) NPSR1MEN1KMT2ATSHRPOLB
SCHEMBL30225323 0.81 POLB (0.39) NPSR1MEN1KMT2ATSHRPOLB
SCHEMBL23975708 0.78 NPSR1 (0.31) NPSR1USP2

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