SCHEMBL4781570

SCHEMBL4781570

c1ccn2nc(COc3ccc4c(c3)OCCn3ncc(-c5ccncc5)c3-4)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.36
PDE4B Q07343 7/20 0.36
PDE4A P27815 6/20 0.36
PDE3B Q13370 6/20 0.35
PDE3A Q14432 6/20 0.35
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 2/20 0.35
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 2/20 0.34
TNIK Q9UKE5 1/20 0.33
BMP4 P12644 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
SCHEMBL4780912 0.83 PDE10A (0.47) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL4780878 0.82 MAOB (0.49) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL4780055 0.80 PDE10A (0.50) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL4778874 0.78 TP53 (0.46) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL4781215 0.72 MAOA (0.39) PRMT5WDR77ROCK2ROCK1
SCHEMBL4762145 0.69 PDE10A (0.62) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL14303843 0.68 ROCK2 (0.34) ROCK2ROCK1BMP4
SCHEMBL4723850 0.64 PDE10A (0.64) PDE10A
SCHEMBL14310547 0.63 PDE10A (0.51) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL30123360 0.62 PDE10A (0.51) PDE10A

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
WO-2008001182-A1 TRICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-01-03 WO claimed
EP-4103161-B1 COMPOSITIONS AND USES THEREOF BENEVOLENTAI CAMBRIDGE LTD (GB) 2023-12-20 EP disclosed
EP-4103161-A1 COMPOSITIONS AND USES THEREOF BenevolentAI Cambridge Limited (GB) 2022-12-21 EP disclosed
CN-115484938-A Composition and use thereof 博善人工智能剑桥有限公司 2022-12-16 CN disclosed
WO-2008001182-A1 TRICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-01-03 WO disclosed
WO-2008001182-A1 TRICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-01-03 WO disclosed