SCHEMBL30225262

SCHEMBL30225262

CN(CC(=O)O)c1nc(-c2cc(OC3COC3)ccn2)nc2c1CCC2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.42
SPR P35270 1/20 0.35
HDAC1 Q13547 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
HDAC6 Q9UBN7 4/20 0.33
PDE10A Q9Y233 1/20 0.33
KMO O15229 1/20 0.33
GRM5 P41594 1/20 0.32
ABCB1 P08183 1/20 0.31
TUBB3 Q13509 1/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL23975960 1.00 SYK (0.42) SYKSPRHDAC1HDAC8HDAC6
SCHEMBL23986869 0.92 SYK (0.41) SYKSPRHDAC1HDAC8HDAC6
SCHEMBL30225205 0.90 SYK (0.40) SYKSPRHDAC1HDAC8HDAC6
SCHEMBL23975961 0.90 SYK (0.40) SYKSPRHDAC1HDAC8HDAC6
SCHEMBL30118704 0.89 SYK (0.39) SYKSPRHDAC1HDAC8HDAC6
SCHEMBL23976359 0.89 SYK (0.39) SYKSPRHDAC1HDAC8HDAC6
SCHEMBL23976078 0.88 SYK (0.42) SYKSPRPDE10AMAPT
SCHEMBL23975850 0.88 SYK (0.40) SYKHDAC1HDAC8HDAC6PDE10A
SCHEMBL23976639 0.88 SYK (0.42) SYKSPRPDE10AMAPT
SCHEMBL30118630 0.88 SYK (0.42) SYKSPRPDE10AMAPT

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-4142732-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS Global Blood Therapeutics, Inc. (US) 2023-03-08 EP disclosed
EP-4143178-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS Global Blood Therapeutics, Inc. (US) 2023-03-08 EP disclosed