SCHEMBL29680554

SCHEMBL29680554

CN1CCN(CCCN=Cc2ccc(-c3nc(-c4ccc(C=NCCCN5CCN(C)CC5)cc4)c4ccn(-c5ccccc5)c4n3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TLR9 Q9NR96 4/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.33
UBE2N P61088 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AVPR1A P37288 1/20 0.33
MAP4K1 Q92918 1/20 0.33
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
FLT3 P36888 1/20 0.32

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 1.00 RAD52 (0.37) RAD52KDM4EALDH1A1TLR9RAB9A
SCHEMBL24528661 0.97 RAD52 (0.36) RAD52KDM4EALDH1A1TLR9RAB9A
SCHEMBL24528649 0.95 RAD52 (0.34) RAD52KDM4EALDH1A1TLR9RAB9A
SCHEMBL24528659 0.90 ALDH1A1 (0.36) RAD52KDM4EALDH1A1RAB9ANPC1
SCHEMBL29680773 0.90 ALDH1A1 (0.36) RAD52KDM4EALDH1A1RAB9ANPC1
SCHEMBL29681200 0.87 KDM4E (0.40) RAD52KDM4EALDH1A1TLR9RAB9A
SCHEMBL24528685 0.87 KDM4E (0.40) RAD52KDM4EALDH1A1TLR9RAB9A
SCHEMBL29681267 0.87 ALDH1A1 (0.36) RAD52KDM4EALDH1A1RAB9ANPC1
SCHEMBL24528667 0.87 ALDH1A1 (0.36) RAD52KDM4EALDH1A1RAB9ANPC1
SCHEMBL29680878 0.85 RAB9A (0.33) KDM4ETLR9RAB9ANPC1MAPT

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