SCHEMBL30765161

SCHEMBL30765161

C[C@@H]1CN(C(=O)c2cccc(-c3ccnc4cc(-c5ccc(C6(O)COC6)nc5)oc34)c2)C[C@H](C)O1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 4/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.34
CAMK1D Q8IU85 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
SYK P43405 1/20 0.32
LRRK2 Q5S007 1/20 0.32
PIK3CD O00329 1/20 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
SCHEMBL27261707 0.87 HPGD (0.43) RAB9AHPGDLRRK2PIK3CD
SCHEMBL30765359 0.83 HSD17B10 (0.44) HSD17B10NPC1ALOX5APFEN1RAB9A
SCHEMBL27261301 0.82 HSD17B10 (0.46) HSD17B10NPC1ALOX5APFEN1RAB9A
SCHEMBL27261708 0.77 HPGD (0.45) RAB9AHPGDPIK3CD
SCHEMBL30765257 0.77 HPGD (0.45) RAB9AHPGDPIK3CD
SCHEMBL30765169 0.75 CCNT1 (0.37) HSD17B10RAB9AHPGDLRRK2PIK3CD
SCHEMBL27261390 0.73 GLRA1 (0.37) HSD17B10RAB9AHPGD
SCHEMBL30765226 0.73 MTOR (0.49) RAB9AHPGDLRRK2PIK3CD
SCHEMBL27261110 0.73 MTOR (0.49) RAB9AHPGDLRRK2PIK3CD
SCHEMBL30765346 0.72 PDE4B (0.36) ALOX5APFEN1CAMK1DKCNH2PIK3CD

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