SCHEMBL29280464

SCHEMBL29280464

CN(C(=O)c1cc(COc2ccc(-c3nn(C)cc3-c3ccncc3)cc2)nc2ccccc12)S(C)(=O)=O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 19/20 0.66
PDE4A P27815 12/20 0.66
PDE4B Q07343 12/20 0.66
PDE3B Q13370 11/20 0.65
PDE3A Q14432 9/20 0.65
LGALS3 P17931 1/20 0.59
PDE4D Q08499 1/20 0.59

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
SCHEMBL24951523 0.88 PDE10A (0.76) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL24954196 0.88 PDE10A (0.68) PDE10APDE4APDE4BPDE3BPDE3A
Hydrochloric Acid SCHEMBL30202096 0.87 PDE10A (0.75) PDE10APDE4APDE4BPDE3BPDE3A
Ammonia Solution, Strong SCHEMBL29280452 0.87 PDE10A (0.75) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL30201628 0.86 PDE10A (0.66) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL24951313 0.86 PDE10A (0.66) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL24950823 0.83 PDE10A (0.69) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL31106976 0.83 PDE10A (0.69) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL30123364 0.82 PDE10A (0.77) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL3271589 0.82 PDE10A (0.77) PDE10APDE4APDE4BPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4377305-A1 ORGANIC PYRIDINE-PYRAZOLE COMPOUNDS AND THEIR USES BenevolentAI Cambridge Limited (GB) 2024-06-05 EP claimed
CN-117751107-A Organic pyridine-pyrazole compounds and uses thereof 博善人工智能剑桥有限公司 2024-03-22 CN claimed
WO-2023007184-A1 ORGANIC PYRIDINE-PYRAZOLE COMPOUNDS AND THEIR USES Benevolentai Cambridge Limited (GB) 2023-02-02 WO claimed
EP-4377305-A1 ORGANIC PYRIDINE-PYRAZOLE COMPOUNDS AND THEIR USES BenevolentAI Cambridge Limited (GB) 2024-06-05 EP disclosed
CN-117751107-A Organic pyridine-pyrazole compounds and uses thereof 博善人工智能剑桥有限公司 2024-03-22 CN disclosed
WO-2023007184-A1 ORGANIC PYRIDINE-PYRAZOLE COMPOUNDS AND THEIR USES Benevolentai Cambridge Limited (GB) 2023-02-02 WO disclosed