SCHEMBL29680625

SCHEMBL29680625

CN(C)CCCNCc1ccc(-c2nc(-c3ccc(CNCCCN(C)C)cc3)c3cnn(-c4ccccc4)c3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PIK3CA P42336 4/20 0.39
MTOR P42345 4/20 0.39
RAD52 P43351 2/20 0.39
TERT O14746 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
LSS P48449 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 3/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 3/20 0.38
KDM5B Q9UGL1 1/20 0.38
NPC1 O15118 2/20 0.37

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
SCHEMBL29680588 0.97 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10PIK3CA
SCHEMBL29680774 0.96 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10PIK3CA
Oxalic Acid SCHEMBL29680471 0.95 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10PIK3CA
Oxalic Acid SCHEMBL29680932 0.92 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10PIK3CA
SCHEMBL29680618 0.84 RAD52 (0.40) KDM4EALDH1A1HPGDHSD17B10RAD52
SCHEMBL29680640 0.83 KDM5B (0.48) PIK3CAMTORRAD52KDM5B
SCHEMBL29680410 0.80 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10RAD52
Oxalic Acid SCHEMBL29680355 0.80 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10RAD52
SCHEMBL29680699 0.79 LMNA (0.43) ALDH1A1PIK3CAMTORRAD52TERT
SCHEMBL29680517 0.79 LMNA (0.41) ALDH1A1RAD52TERTCCNA2CDK2

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