SCHEMBL29680767

SCHEMBL29680767

CN1CCN(CCCCN=Cc2ccc(-c3nc(-c4ccc(C=NCCCCN5CCN(C)CC5)cc4)c4cnn(-c5ccccc5)c4n3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 12/20 0.42
PIK3CA P42336 4/20 0.39
MTOR P42345 4/20 0.39
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
RAD52 P43351 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
SCHEMBL24528661 0.85 RAD52 (0.36) KDM4EALDH1A1MAPTMAPK1RAD52
SCHEMBL29680708 0.84 GSK3B (0.41) PIK3CAMTORKDM4EMEN1ALDH1A1
SCHEMBL29680812 0.83 GSK3B (0.40) PIK3CAMTORKDM4EMEN1ALDH1A1
SCHEMBL29680973 0.83 KDM4E (0.41) PIK3CAMTORKDM4EMEN1ALDH1A1
SCHEMBL24528648 0.82 RAD52 (0.37) KDM4EALDH1A1MAPTMAPK1RAD52
SCHEMBL29680554 0.82 RAD52 (0.37) KDM4EALDH1A1MAPTMAPK1RAD52
SCHEMBL24528690 0.82 TLR9 (0.41) KDM4EALDH1A1MAPTMAPK1RAD52
SCHEMBL29680640 0.80 KDM5B (0.48) KDM5BPIK3CAMTORRAD52
SCHEMBL24528649 0.78 RAD52 (0.34) KDM4EALDH1A1MAPTMAPK1RAD52
SCHEMBL24528685 0.78 KDM4E (0.40) PIK3CAMTORKDM4EALDH1A1MAPT

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 2 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 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