SCHEMBL24528652

SCHEMBL24528652

CN(C)CCC/N=C\c1ccc(-c2nc(-c3ccc(/C=N/CCCN(C)C)cc3)nc3c2ccn3-c2ccc(/C=N/CCCN(C)C)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
PDE4B Q07343 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL29681045 0.95 KDM4E (0.37) KDM4EALDH1A1LMNA
SCHEMBL24528512 0.95 KDM4E (0.37) KDM4EALDH1A1LMNA
SCHEMBL29680746 0.95 KDM4E (0.37) KDM4EALDH1A1LMNA
SCHEMBL24528596 0.95 KDM4E (0.37) KDM4EALDH1A1LMNA
SCHEMBL24528655 0.93 KDM4E (0.34) KDM4EPDE4BALDH1A1LMNA
SCHEMBL24528599 0.93 KDM4E (0.33) KDM4EPDE4BALDH1A1LMNA
SCHEMBL24528695 0.92 KDM4E (0.34) KDM4EALDH1A1LMNA
SCHEMBL24528677 0.91 KDM4E (0.34) KDM4EALDH1A1LMNA
SCHEMBL24528709 0.88 KDM4E (0.33) KDM4EALDH1A1LMNA
SCHEMBL29680934 0.88 KDM4E (0.33) KDM4EALDH1A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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