SCHEMBL29680640

SCHEMBL29680640

CN1CCN(CCCCNCc2ccc(-c3nc(-c4ccc(CNCCCCN5CCN(C)CC5)cc4)c4cnn(-c5ccccc5)c4n3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 13/20 0.48
AKT1 P31749 1/20 0.47
AKT2 P31751 1/20 0.47
RAD52 P43351 1/20 0.40
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39

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 SCHEMBL29680369 0.96 KDM5B (0.51) KDM5BAKT1AKT2PIK3CAMTOR
SCHEMBL29680588 0.84 KDM4E (0.46) KDM5BRAD52PIK3CAMTOR
SCHEMBL29680888 0.83 AKT1 (0.49) AKT1AKT2RAD52
SCHEMBL29680774 0.83 KDM4E (0.45) KDM5BRAD52PIK3CAMTOR
SCHEMBL29680625 0.83 KDM4E (0.48) KDM5BRAD52PIK3CAMTOR
SCHEMBL29680767 0.80 KDM5B (0.42) KDM5BRAD52PIK3CAMTOR
Oxalic Acid SCHEMBL29680932 0.79 KDM4E (0.42) KDM5BPIK3CAMTOR
Oxalic Acid SCHEMBL29680443 0.79 AKT1 (0.46) KDM5BAKT1AKT2RAD52PIK3CA
SCHEMBL29680354 0.79 AKT1 (0.48) AKT1AKT2RAD52PIK3CAMTOR
Oxalic Acid SCHEMBL29680471 0.79 KDM4E (0.45) KDM5BPIK3CAMTOR

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