SCHEMBL30765255

SCHEMBL30765255

C[C@@H]1CN(C(=O)c2ccc(-c3cc4nccc(-c5ccnc(C(C)(C)O)c5)c4o3)cc2)CCO1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 1/20 0.39
PDE2A O00408 6/20 0.35
LIPG Q9Y5X9 2/20 0.35
RAF1 P04049 3/20 0.33
BRAF P15056 3/20 0.33
VNN1 O95497 2/20 0.33
NAMPT P43490 1/20 0.33
CREBBP Q92793 1/20 0.33
LIPC P11150 1/20 0.33
TGFBR1 P36897 1/20 0.33
SLC6A7 Q99884 1/20 0.33
NPC1 O15118 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL30765285 1.00 GLRA1 (0.39) GLRA1PDE2ALIPGRAF1BRAF
SCHEMBL30765202 1.00 GLRA1 (0.39) GLRA1PDE2ALIPGRAF1BRAF
SCHEMBL27263346 0.91 NPC1 (0.43) NAMPTNPC1
SCHEMBL30765379 0.91 NPC1 (0.43) NAMPTNPC1
SCHEMBL27263347 0.91 NPC1 (0.43) NAMPTNPC1
SCHEMBL30765178 0.91 NPC1 (0.43) NAMPTNPC1
SCHEMBL27262365 0.89 TGFBR1 (0.42) RAF1BRAFTGFBR1
SCHEMBL30765407 0.89 TGFBR1 (0.42) RAF1BRAFTGFBR1
SCHEMBL32672619 0.89 GLRA1 (0.38) GLRA1PDE2ALIPGVNN1NAMPT
SCHEMBL32672561 0.89 GLRA1 (0.38) GLRA1PDE2ALIPGVNN1NAMPT

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-2024033280-A1 FUROPYRIDIN AND FUROPYRIMIDIN, INHIBITORS OF PI4K, FOR USE IN THE TREATMENT OF PARASITE INFECTION AND MALARIA MERCK PATENT GMBH (DE) 2024-02-15 WO disclosed