SCHEMBL30123201

SCHEMBL30123201

Cn1cc(-c2ccncc2)c(-c2ccc(OCc3nc4ccccc4n3C)cc2F)n1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 14/20 0.60
PDE4A P27815 9/20 0.57
PDE4B Q07343 9/20 0.57
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
LGALS3 P17931 1/20 0.52
PDE4D Q08499 1/20 0.52
PDE3B Q13370 8/20 0.52
PDE3A Q14432 7/20 0.52
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL5519473 1.00 PDE10A (0.60) PDE10APDE4APDE4BNPC1RAB9A
SCHEMBL4724444 0.88 PDE10A (0.76) PDE10APDE4APDE4BNPC1RAB9A
SCHEMBL30123130 0.88 PDE10A (0.76) PDE10APDE4APDE4BNPC1RAB9A
SCHEMBL4167200 0.84 PDE10A (0.61) PDE10APDE4APDE4BNPC1RAB9A
SCHEMBL3270119 0.82 PDE10A (0.60) PDE10APDE4APDE4BLGALS3PDE4D
SCHEMBL3269597 0.82 PDE10A (0.77) PDE10APDE4APDE4BLGALS3PDE4D
SCHEMBL30122876 0.82 PDE10A (0.77) PDE10APDE4APDE4BLGALS3PDE4D
SCHEMBL5519916 0.81 PDE10A (0.64) PDE10APDE4APDE4BLGALS3PDE4D
SCHEMBL4154400 0.80 PDE10A (0.68) PDE10APDE4APDE4BNPC1RAB9A
SCHEMBL4153844 0.79 PDE10A (0.59) PDE10APDE4APDE4BNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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