SCHEMBL23586145

SCHEMBL23586145

[O-][S+]1CCCc2nc(-c3cccc(Cl)c3)nc(OSC(F)(F)F)c21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR1I3 Q14994 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.31
▸ DHPS P49366 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30
▸ XPO1 O14980 1/20 0.30
▸ IDH1 O75874 1/20 0.30

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
SCHEMBL23586226 0.78 NR1I3 (0.40) NR1I3HRH4DHPSHTTCHRNB4
SCHEMBL23586239 0.75 NR1I3 (0.39) NR1I3HRH4DHPSLMNAMAPT
SCHEMBL23586214 0.69 PDE4B (0.51) —
SCHEMBL23586206 0.68 PDE4B (0.46) —
SCHEMBL23586238 0.68 PDE4B (0.42) —
SCHEMBL23586185 0.67 PDE4B (0.53) —
SCHEMBL23586227 0.67 PDE4B (0.53) —
SCHEMBL23586289 0.67 PDE4B (0.52) LMNAMAPTHTT
SCHEMBL23586147 0.66 PDE4B (0.56) —
SCHEMBL15658923 0.63 PDE4D (0.42) NR1I3LMNAMAPTCHRNB4CHRNA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3842420-B1 HETEROARYL INHIBITORS OF PDE4 TETRA DISCOVERY PARTNERS LLC (US) 2022-12-07 — — EP disclosed
EP-3842420-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners LLC (US) 2021-06-30 — — EP disclosed
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