SCHEMBL31130128

SCHEMBL31130128

Cc1nn(C)c2c(NN)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ MAPT P10636 5/20 0.35
▸ LMNA P02545 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ RGS12 O14924 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ MAPK1 P28482 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GLS O94925 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.32
▸ GAA P10253 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ TSHR P16473 2/20 0.32

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
SCHEMBL28237818 0.77 DDB1 (0.48) ADORA2AADORA2BMAPTLMNAMEN1
SCHEMBL20215514 0.76 ALKBH5 (0.46) ADORA2AADORA2BMAPTLMNAMEN1
SCHEMBL13106236 0.73 SSTR4 (0.40) ADORA2AADORA2BMAPTLMNAMEN1
SCHEMBL13106346 0.73 LMNA (0.43) ADORA2AADORA2BMAPTLMNAMEN1
SCHEMBL13106244 0.73 SSTR4 (0.40) ADORA2AADORA2BMEN1KMT2AL3MBTL1
SCHEMBL20257297 0.70 SLC9A1 (0.44) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL17616526 0.70 ADORA2A (0.37) ADORA2AADORA2BMAPTLMNAMEN1
SCHEMBL13202677 0.70 KDM4E (0.49) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL29957096 0.70 ADORA2A (0.37) ADORA2AADORA2BMAPTLMNAMEN1
SCHEMBL28138780 0.70 PIM3 (0.44) LMNAL3MBTL1KDM4EALDH1A1TSHR

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
EP-4442318-A2 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC (US) 2024-10-09 — — EP disclosed
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