SCHEMBL29680300

SCHEMBL29680300

CN(C)CCCCNCc1ccc(-c2cc(-c3ccc(CNCCCCN(C)C)cc3)c3ccn(Cc4ccccc4)c3n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
TERT O14746 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
FYN P06241 2/20 0.38
SRC P12931 2/20 0.38
ABL1 P00519 1/20 0.38
FLT3 P36888 1/20 0.38
VSIR Q9H7M9 2/20 0.38
MOK Q9UQ07 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR6 P50406 2/20 0.36
MAOB P27338 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
KDR P35968 1/20 0.36
MAOA P21397 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 SCHEMBL29680556 0.95 MOK (0.40) HRH3TERTCCNA2CDK2MOK
SCHEMBL29680758 0.80 KDM4E (0.41) HTR6MAOBKDR
SCHEMBL24528696 0.80 KDM4E (0.41) HTR6MAOBKDR
SCHEMBL29680600 0.75 TMEM97 (0.43) TERTCCNA2CDK2TMEM97SIGMAR1
SCHEMBL24528641 0.75 ADORA2A (0.46) FYNSRCABL1FLT3HTR6
SCHEMBL29680818 0.75 ADORA2A (0.46) FYNSRCABL1FLT3HTR6
SCHEMBL29680686 0.74 TERT (0.41) HRH3TERTCCNA2CDK2MOK
Oxalic Acid SCHEMBL29680687 0.72 JAK1 (0.43) TERTCCNA2CDK2MOK
Oxalic Acid SCHEMBL29680780 0.72 BCHE (0.42) TERTCCNA2CDK2TMEM97SIGMAR1
SCHEMBL1443953 0.68 MAOA (0.64) TERTTMEM97SIGMAR1MAOACHRM2

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