SCHEMBL31533714

SCHEMBL31533714

COc1ccc(Cn2nc(OC[C@H]3COCCO3)c3cc(Br)cnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 8/20 0.45
▸ DRD4 P21917 6/20 0.40
▸ GRM4 Q14833 3/20 0.39
▸ PDE1C Q14123 2/20 0.39
▸ PDE1A P54750 1/20 0.39
▸ GPR84 Q9NQS5 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL27193665 1.00 PDE1B (0.45) PDE1BDRD4GRM4PDE1CPDE1A
SCHEMBL27193403 1.00 PDE1B (0.45) PDE1BDRD4GRM4PDE1CPDE1A
SCHEMBL27193455 0.81 PDE1B (0.47) PDE1BPDE1CPDE1ACNR1CNR2
SCHEMBL1592906 0.80 PDE1B (0.55) PDE1BPDE1CPDE1ACNR1CNR2
SCHEMBL27193571 0.80 PDE1B (0.46) PDE1BPDE1CPDE1ACNR1CNR2
SCHEMBL16536339 0.80 PDE1B (0.51) PDE1BCNR1CNR2
SCHEMBL1592961 0.80 PDE1B (0.53) PDE1BPDE1CPDE1ACNR1CNR2
SCHEMBL31533705 0.78 GRM4 (0.37) GRM4GPR84
SCHEMBL27193526 0.78 GRM4 (0.37) GRM4GPR84
SCHEMBL27193702 0.78 GRM4 (0.37) GRM4GPR84

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
CN-119654314-A Heterocyclic amide and urea compounds as JAK2 inhibitors 艾捷斯治疗公司 2025-03-18 — — CN disclosed
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