SCHEMBL30765155

SCHEMBL30765155

COc1cc(-c2cc3nccc(-c4cccc(C(=O)NCCN5CCCCC5)c4)c3o2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
PTK2 Q05397 1/20 0.47
ERN1 O75460 1/20 0.46
SMYD2 Q9NRG4 1/20 0.45
FYN P06241 1/20 0.44
ATM Q13315 1/20 0.44
MAP4K4 O95819 1/20 0.44
SLC29A1 Q99808 1/20 0.44
IKBKB O14920 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
F10 P00742 1/20 0.42
DRD4 P21917 2/20 0.42
GRK5 P34947 1/20 0.42
ATR Q13535 1/20 0.42
PIM1 P11309 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL27260524 1.00 SMN1; SMN2 (0.52) SMN1; SMN2PTK2ERN1SMYD2FYN
SCHEMBL725156 0.87 FYN (0.49) FYNKMT2A
SCHEMBL723443 0.87 FYN (0.58) PTK2FYNMAP4K4KMT2A
SCHEMBL723071 0.85 FYN (0.54) PTK2FYNMAP4K4GRK5
SCHEMBL722768 0.83 FYN (0.49) PTK2FYNMAP4K4GRK5PIM1
SCHEMBL724106 0.83 PDE4C (0.44) SMN1; SMN2PTK2FYN
SCHEMBL15210436 0.82 FYN (0.46) SMN1; SMN2PTK2FYN
SCHEMBL15210439 0.82 FYN (0.46) SMN1; SMN2PTK2FYN
SCHEMBL15210437 0.82 FYN (0.46) SMN1; SMN2PTK2FYN
SCHEMBL15210451 0.81 FYN (0.43) SMN1; SMN2PTK2FYNKMT2A

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