SCHEMBL31079006

SCHEMBL31079006

CC(O)(C(=O)O)c1ccc(Nc2ccnc(Nc3ccc(F)cc3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.64
MAPT P10636 3/20 0.64
MAPK1 P28482 3/20 0.64
RAB9A P51151 3/20 0.64
MEN1 O00255 2/20 0.64
LMNA P02545 2/20 0.64
KMT2A Q03164 2/20 0.64
ALOX12 P18054 1/20 0.64
MAPK8 P45983 2/20 0.57
AURKA O14965 11/20 0.55
PLK1 P53350 1/20 0.53
AURKB Q96GD4 1/20 0.52
CHEK1 O14757 1/20 0.49
IKBKB O14920 1/20 0.49
PDPK1 O15530 1/20 0.49
CHEK2 O96017 1/20 0.49
PRKCG P05129 1/20 0.49
CDK1 P06493 1/20 0.49
LYN P07948 1/20 0.49
KIT P10721 1/20 0.49

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
SCHEMBL31079063 0.85 NPC1 (0.63) NPC1MAPTMAPK1RAB9AMEN1
SCHEMBL3300205 0.80 AURKA (0.86) NPC1MAPTMAPK1RAB9AMEN1
SCHEMBL4621303 0.78 NPC1 (0.87) NPC1MAPTMAPK1RAB9AMEN1
Oxalic Acid SCHEMBL4608690 0.77 PLK1 (0.56) NPC1MAPTMAPK1RAB9AMEN1
SCHEMBL3301709 0.77 MEN1 (0.69) NPC1MAPTMAPK1RAB9AMEN1
SCHEMBL3300933 0.74 AURKA (0.80) NPC1RAB9AMAPK8AURKAAURKB
SCHEMBL14009478 0.74 MEN1 (0.61) NPC1MAPTMAPK1RAB9AMEN1
SCHEMBL13844955 0.74 MAPK1 (0.79) NPC1MAPTMAPK1RAB9AMEN1
SCHEMBL29226498 0.74 RAB9A (0.47) NPC1MAPTMAPK1RAB9AMEN1
SCHEMBL2769055 0.74 RAB9A (0.47) NPC1MAPTMAPK1RAB9AMEN1

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-4651872-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE TO TREAT HYPOPARATHYROIDISM AND OSTEOPOROSIS Septerna, Inc. (US) 2025-11-26 EP disclosed
WO-2024155601-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE TO TREAT HYPOPARATHYROIDISM AND OSTEOPOROSIS SEPTERNA, INC. (US) 2024-07-25 WO disclosed