SCHEMBL30225313

SCHEMBL30225313

CN(CC(=O)NC1(C(F)(F)F)CC1)c1nc(Cl)nc2c1CCC2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32
USP2 O75604 1/20 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
SCHEMBL27209478 1.00 CYP1A2 (0.33) CYP1A2GAAKDM4EMAPTHDAC1
SCHEMBL23975730 0.80 POLB (0.40) CYP1A2GAAKDM4EMAPTHDAC1
SCHEMBL30225189 0.80 POLB (0.40) CYP1A2GAAKDM4EMAPTHDAC1
SCHEMBL30118771 0.79 PDE10A (0.42) CYP1A2HDAC1HDAC8HDAC6
SCHEMBL23976240 0.79 PDE10A (0.42) CYP1A2HDAC1HDAC8HDAC6
SCHEMBL23975882 0.79 HDAC1 (0.33) CYP1A2GAAKDM4EMAPTHDAC1
SCHEMBL23976616 0.79 HCRTR2 (0.31) HDAC1HDAC8HDAC6
SCHEMBL30118716 0.79 HCRTR2 (0.31) HDAC1HDAC8HDAC6
SCHEMBL23975763 0.78 POLB (0.38) CYP1A2GAAKDM4EMAPTHDAC1
SCHEMBL23976317 0.77 ACHE (0.33) CYP1A2GAAKDM4EMAPTUSP2

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