SCHEMBL29680888

SCHEMBL29680888

CN1CCN(CCCNCc2ccc(-c3nc(-c4ccc(CNCCCN5CCN(C)CC5)cc4)c4ccn(-c5ccccc5)c4n3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.49
AKT2 P31751 1/20 0.49
RAD52 P43351 1/20 0.44
TLR9 Q9NR96 2/20 0.40
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
UBE2N P61088 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CACNA1G O43497 7/20 0.38
HDAC1 Q13547 1/20 0.38
CFTR P13569 1/20 0.38

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
Oxalic Acid SCHEMBL29680443 0.96 AKT1 (0.46) AKT1AKT2RAD52TLR9POLB
SCHEMBL29680730 0.90 AKT1 (0.49) AKT1AKT2RAD52CACNA1G
SCHEMBL29680354 0.87 AKT1 (0.48) AKT1AKT2RAD52TLR9POLB
SCHEMBL29680827 0.86 AKT1 (0.49) AKT1AKT2RAD52CACNA1G
Oxalic Acid SCHEMBL29680612 0.86 AKT1 (0.46) AKT1AKT2RAD52POLBHPGD
SCHEMBL29680379 0.85 AKT1 (0.37) AKT1AKT2RAD52TLR9POLB
Oxalic Acid SCHEMBL29680295 0.84 AKT1 (0.46) AKT1AKT2RAD52TLR9POLB
SCHEMBL29680640 0.83 KDM5B (0.48) AKT1AKT2RAD52
SCHEMBL29680618 0.83 RAD52 (0.40) RAD52TLR9POLBHPGD
Oxalic Acid SCHEMBL29680370 0.83 AKT1 (0.46) AKT1AKT2RAD52CACNA1GHDAC1

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-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 claimed
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 claimed
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