SCHEMBL29680804

SCHEMBL29680804

CN(C)CCCNCc1ccc(-c2nc(Cl)nc3[nH]ccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
PDK1 Q15118 5/20 0.40
BPTF Q12830 2/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36

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 SCHEMBL29680719 0.94 PDK1 (0.45) TERTCCNA2CDK2PDK1BPTF
SCHEMBL29680455 0.80 AKT1 (0.48) CDK2PDK1LMNA
SCHEMBL24528635 0.76 BPTF (0.38) PDK1BPTFLMNA
SCHEMBL29681028 0.76 BPTF (0.38) PDK1BPTFLMNA
Oxalic Acid SCHEMBL29680236 0.76 AKT1 (0.46) PDK1LMNA
SCHEMBL29680686 0.76 TERT (0.41) TERTCCNA2CDK2BPTFHRH4
SCHEMBL29680649 0.75 TMEM97 (0.43) TERTCCNA2CDK2HRH4HRH3
SCHEMBL29680230 0.73 TMEM97 (0.43) TERTCCNA2CDK2TMEM97SIGMAR1
SCHEMBL5867347 0.72 TMEM97 (0.61) TERTCCNA2CDK2HRH4HRH3
Oxalic Acid SCHEMBL29680687 0.71 JAK1 (0.43) TERTCCNA2CDK2

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