SCHEMBL23975565

SCHEMBL23975565

Nc1nc(-c2ccccn2)nc2c1CCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
ALOX15 P16050 2/20 0.51
TDP1 Q9NUW8 4/20 0.50
NPC1 O15118 3/20 0.45
HTT P42858 3/20 0.45
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 1/20 0.45
ACHE P22303 3/20 0.42
BCHE P06276 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
PPP1CA P62136 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
ADORA2A P29274 2/20 0.40
ADORA1 P30542 1/20 0.40
CYP1A2 P05177 2/20 0.39
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 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
SCHEMBL23986840 0.82 KDM4E (0.50) KDM4EL3MBTL1ALOX15TDP1NPC1
SCHEMBL20665835 0.78 METAP2 (0.53) KDM4EL3MBTL1ALOX15TDP1HTT
SCHEMBL10150242 0.77 L3MBTL1 (0.50) KDM4EL3MBTL1ALOX15TDP1NPC1
SCHEMBL23975633 0.76 PDE4B (0.52) KDM4ETDP1HTTTP53SMN1; SMN2
SCHEMBL23975644 0.76 TDP1 (0.61) KDM4EL3MBTL1ALOX15TDP1RAB9A
SCHEMBL11036761 0.75 KDM4E (0.68) KDM4EL3MBTL1ALOX15TDP1NPC1
SCHEMBL10150244 0.74 RAB9A (0.59) L3MBTL1ALOX15TDP1RAB9APPP1CA
SCHEMBL23975719 0.74 PDE10A (0.44) KDM4EL3MBTL1TDP1NPC1HTT
SCHEMBL23976684 0.74 KDM4E (0.42) KDM4EL3MBTL1ALOX15TDP1NPC1
SCHEMBL23976131 0.74 RAB9A (0.49) L3MBTL1ALOX15TDP1RAB9APPP1CA

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