SCHEMBL31572399

SCHEMBL31572399

COC(=O)Cc1ccc(Nc2nc(N3CCN(c4ncc(Cl)cn4)CC3)nc3c2[S+]([O-])CC3)cc1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCL6 P41182 4/20 0.39
▸ GPR119 Q8TDV5 4/20 0.36
▸ KCNH2 Q12809 3/20 0.36
▸ TRPV1 Q8NER1 3/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ PDE4B Q07343 4/20 0.35
▸ PDE4D Q08499 4/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KIT P10721 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33
▸ EGFR P00533 1/20 0.33

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
SCHEMBL31572374 0.92 PDE4B (0.37) BCL6GPR119KCNH2TRPV1PDE4B
SCHEMBL31572385 0.91 GPR119 (0.35) BCL6GPR119KCNH2TRPV1PDE4B
SCHEMBL31572397 0.91 GPR119 (0.35) BCL6GPR119KCNH2TRPV1HDAC3
SCHEMBL31572383 0.89 TRPV1 (0.33) BCL6GPR119KCNH2TRPV1PDE4B
SCHEMBL31572369 0.84 PDE4B (0.40) PDE4BPDE4DMEN1MAPTKMT2A
SCHEMBL31571853 0.83 GPR119 (0.35) BCL6GPR119KCNH2TRPV1PDE4B
SCHEMBL31572367 0.81 PDE4B (0.55) BCL6PDE4BPDE4D
SCHEMBL31571887 0.80 PDE4B (0.36) GPR119KCNH2TRPV1PDE4BPDE4D
SCHEMBL31572400 0.73 PDE4B (0.51) GPR119KCNH2PDE4BPDE4D
SCHEMBL31571849 0.72 PDE4B (0.59) PDE4BPDE4D

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-2025092985-A1 PHOSPHODIESTERASE 4B INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 合肥医工医药股份有限公司 2025-05-08 — — WO disclosed
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