SCHEMBL29680878

SCHEMBL29680878

CC(CCN=Cc1ccc(-c2nc(-c3ccc(C=NCCC(C)N4CCN(C)CC4)cc3)c3ccn(-c4ccccc4)c3n2)cc1)N1CCN(C)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SLC6A3 Q01959 1/20 0.31
TLR9 Q9NR96 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL24528648 0.85 RAD52 (0.37) RAB9ASMN1; SMN2NPC1MAPTMAPK1
SCHEMBL29680554 0.85 RAD52 (0.37) RAB9ASMN1; SMN2NPC1MAPTMAPK1
SCHEMBL24528661 0.84 RAD52 (0.36) RAB9ASMN1; SMN2NPC1MAPTMAPK1
SCHEMBL29680872 0.83 KDM4E (0.30) NPSR1KDM4E
SCHEMBL29680952 0.82
SCHEMBL29680894 0.82
SCHEMBL29680379 0.81 AKT1 (0.37) RAB9ASMN1; SMN2POLBHTTNPSR1
SCHEMBL24528649 0.81 RAD52 (0.34) RAB9ASMN1; SMN2NPC1MAPTMAPK1
SCHEMBL29680999 0.81 MGLL (0.30)
SCHEMBL29681233 0.80

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-4263539-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE - INSERM (FR) 2023-10-25 EP disclosed
WO-2022129376-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2022-06-23 WO disclosed