SCHEMBL31226596

SCHEMBL31226596

Nc1cccc(-c2c[nH]c(=O)cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAP4K4 O95819 4/20 0.47
KIT P10721 2/20 0.46
CHEK1 O14757 1/20 0.45
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
NTRK1 P04629 2/20 0.43
ENPP2 Q13822 1/20 0.42
PSIP1 O75475 1/20 0.42
AXL P30530 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
MAOA P21397 1/20 0.41

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
SCHEMBL1395492 1.00 METAP2 (0.50) METAP2NPC1RAB9AMAP4K4KIT
SCHEMBL7396855 0.82 MEN1 (0.46) NPC1RAB9AMEN1KDM4ELMNA
SCHEMBL7278792 0.81 METAP2 (0.43) METAP2NPC1RAB9AMAP4K4CHEK1
SCHEMBL695196 0.80 CYP1A2 (0.46) METAP2KDM4EALDH1A1HPGDXDH
SCHEMBL31226415 0.80 NTRK1 (0.40) MAP4K4KITMEN1KDM4EALDH1A1
Bromide SCHEMBL7301912 0.79 METAP2 (0.42) METAP2NPC1RAB9AMAP4K4CHEK1
Hydrochloric Acid SCHEMBL7349133 0.79 METAP2 (0.42) METAP2NPC1RAB9AMAP4K4CHEK1
SCHEMBL24270330 0.78 NPC1 (0.65) METAP2NPC1RAB9AMAP4K4KIT
SCHEMBL30165348 0.78 NPC1 (0.65) METAP2NPC1RAB9AMAP4K4KIT
SCHEMBL7370129 0.77 PTGS1 (0.50) ALDH1A1MAPT

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-4709712-A1 GSK3A INHIBITORS AND METHODS OF USE THEREOF Blueprint Medicines Corporation (US) 2026-03-18 EP disclosed
WO-2024233900-A1 GSK3A INHIBITORS AND METHODS OF USE THEREOF BLUEPRINT MEDICINES CORPORATION (US) 2024-11-14 WO disclosed