SCHEMBL30765417

SCHEMBL30765417

COc1cc(-c2cc3nccc(-c4cccc(S(=O)(=O)NC5CC5)c4)c3o2)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.46
BRD2 P25440 2/20 0.46
BRD3 Q15059 2/20 0.46
PDE4C Q08493 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
JAK2 O60674 5/20 0.40
JAK1 P23458 5/20 0.40
TYK2 P29597 4/20 0.40
JAK3 P52333 3/20 0.40

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
SCHEMBL27260526 0.86 PDE4C (0.43) PDE4CKDM4EALDH1A1HPGDCA1
SCHEMBL30765218 0.86 PDE4C (0.43) PDE4CKDM4EALDH1A1HPGDCA1
SCHEMBL722404 0.85 PDE4C (0.46) PDE4CKDM4EHPGDCA1CA2
SCHEMBL722179 0.84 CA1 (0.58) PDE4CKDM4EHPGDCA1CA2
SCHEMBL722188 0.83 PDE4C (0.44) PDE4CKDM4EALDH1A1HPGDCA1
SCHEMBL27260528 0.80 PDE4C (0.42) PDE4CKDM4EALDH1A1HPGDCA1
SCHEMBL30765409 0.80 SMN1; SMN2 (0.44) BRD4KDM4EALDH1A1HPGDHTT
SCHEMBL16638609 0.78 PDE4C (0.50) PDE4CKDM4EALDH1A1HPGDLMNA
SCHEMBL722839 0.78 PDE4C (0.51) BRD4PDE4CKDM4EALDH1A1HPGD
SCHEMBL723093 0.77 PDE4C (0.55) BRD4PDE4CKDM4EALDH1A1HPGD

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