SCHEMBL29680649

SCHEMBL29680649

CN(C)CCCNCc1ccc(-c2nc(Cl)nc3c2ccn3-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
TERT O14746 2/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
POLB P06746 2/20 0.37
SCN9A Q15858 1/20 0.36
NUDT1 P36639 1/20 0.35
LSS P48449 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.34
SLC2A1 P11166 1/20 0.34
APOBEC3A P31941 1/20 0.34
RAD52 P43351 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34

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
SCHEMBL29680230 0.96 TMEM97 (0.43) TMEM97SIGMAR1TERTCCNA2CDK2
Oxalic Acid SCHEMBL29680744 0.95 KDM4E (0.41) TMEM97SIGMAR1TERTCCNA2CDK2
Oxalic Acid SCHEMBL29680659 0.92 ATM (0.41) TMEM97SIGMAR1TERTCCNA2CDK2
SCHEMBL29680618 0.89 RAD52 (0.40) TMEM97SIGMAR1TERTCCNA2CDK2
SCHEMBL29680410 0.85 ALDH1A1 (0.42) TMEM97SIGMAR1TERTCCNA2CDK2
Oxalic Acid SCHEMBL29680355 0.85 KDM4E (0.41) TMEM97SIGMAR1TERTCCNA2CDK2
SCHEMBL29680522 0.84 TERT (0.34) TMEM97SIGMAR1TERTCCNA2CDK2
SCHEMBL29680517 0.84 LMNA (0.41) TMEM97SIGMAR1TERTCCNA2CDK2
SCHEMBL29680600 0.83 TMEM97 (0.43) TMEM97SIGMAR1TERTCCNA2CDK2
SCHEMBL29680730 0.83 AKT1 (0.49) RAD52

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