SCHEMBL29680827

SCHEMBL29680827

CN1CCN(CCCNCc2ccc(-n3ccc4c(-c5ccccc5)nc(Cl)nc43)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.49
AKT2 P31751 1/20 0.49
CACNA1G O43497 11/20 0.44
RAD52 P43351 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
SCHEMBL29680730 0.96 AKT1 (0.49) AKT1AKT2CACNA1GRAD52
Oxalic Acid SCHEMBL29680370 0.96 AKT1 (0.46) AKT1AKT2CACNA1GRAD52
Oxalic Acid SCHEMBL29680612 0.92 AKT1 (0.46) AKT1AKT2CACNA1GRAD52
SCHEMBL29680888 0.86 AKT1 (0.49) AKT1AKT2CACNA1GRAD52
SCHEMBL29680230 0.83 TMEM97 (0.43) CACNA1GRAD52
Oxalic Acid SCHEMBL29680443 0.82 AKT1 (0.46) AKT1AKT2CACNA1GRAD52
SCHEMBL24528667 0.80 ALDH1A1 (0.36) CACNA1GRAD52
SCHEMBL29681267 0.80 ALDH1A1 (0.36) CACNA1GRAD52
SCHEMBL29680649 0.79 TMEM97 (0.43) RAD52
Oxalic Acid SCHEMBL29680659 0.79 ATM (0.41) CACNA1G

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