SCHEMBL30765331

SCHEMBL30765331

COc1cc(-c2cc3nccc(-c4cccc(C(=O)N5CCOCC5)c4)c3o2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.54
TYK2 P29597 5/20 0.54
JAK2 O60674 4/20 0.54
JAK3 P52333 4/20 0.54
ERN1 O75460 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 2/20 0.45
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GLA P06280 1/20 0.42
CYP1A2 P05177 1/20 0.42
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
PIK3CD O00329 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
SCHEMBL723230 1.00 JAK1 (0.54) JAK1TYK2JAK2JAK3ERN1
SCHEMBL724240 0.91 PIK3CD (0.49) JAK1TYK2JAK2JAK3ERN1
SCHEMBL725175 0.86 ACVR1 (0.42) JAK1TYK2JAK2JAK3HPGD
SCHEMBL722851 0.84 PDE4C (0.46) JAK1TYK2JAK2JAK3ERN1
SCHEMBL27261867 0.84 HPGD (0.48) JAK1TYK2JAK2JAK3ERN1
SCHEMBL30765276 0.84 HPGD (0.48) JAK1TYK2JAK2JAK3ERN1
SCHEMBL724085 0.84 PDE4C (0.45) JAK1TYK2JAK2JAK3ERN1
SCHEMBL27920235 0.83 JAK1 (0.40) JAK1TYK2JAK2JAK3HPGD
SCHEMBL724106 0.82 PDE4C (0.44) JAK1TYK2JAK2JAK3L3MBTL1
SCHEMBL27261388 0.82 HPGD (0.46) JAK1TYK2JAK2JAK3ERN1

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