SCHEMBL24950801

SCHEMBL24950801

C[Si](C)(C)CCOCn1cc(-c2ccncc2)c(-c2ccc(OCc3ccccc3)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.51
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL24951258 0.84 PDE10A (0.53) PDE10APDE4APDE4BSLC6A3
SCHEMBL29280467 0.83 BRAF (0.44) PDE10ASLC6A3
SCHEMBL17088202 0.81 PDE10A (0.57) PDE10ASLC6A3
SCHEMBL1758443 0.80 PDE10A (0.70) PDE10ASLC6A3
SCHEMBL1758488 0.80 PDE10A (0.52) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL3276042 0.80 PDE10A (0.69) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL1758710 0.79 PDE10A (0.71) PDE10APDE4APDE4B
SCHEMBL30202117 0.79 PDE10A (0.53) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL1847543 0.79 BRAF (0.39) PDE10ASLC6A3
SCHEMBL17088203 0.78 PDE10A (0.51) 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 4 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 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
WO-2023007184-A1 ORGANIC PYRIDINE-PYRAZOLE COMPOUNDS AND THEIR USES Benevolentai Cambridge Limited (GB) 2023-02-02 WO disclosed