SCHEMBL29680743

SCHEMBL29680743

CN(C)CCCN=Cc1ccc(-c2cc(Cl)nc3c2ccn3-c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAT2A P31153 2/20 0.32
ATM Q13315 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
MAPK1 P28482 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GFER P55789 1/20 0.31
PSMD14 O00487 1/20 0.31
FGFR1 P11362 2/20 0.31
SRC P12931 2/20 0.31
CCR6 P51684 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
SCHEMBL24528694 1.00 KDM4E (0.38) KDM4EALDH1A1LMNAMAT2AATM
SCHEMBL24528583 0.84 KDM4E (0.38) KDM4EALDH1A1LMNAATMMEN1
SCHEMBL29680660 0.84 KDM4E (0.38) KDM4EALDH1A1LMNAATMMEN1
SCHEMBL29680746 0.81 KDM4E (0.37) KDM4EALDH1A1LMNAATMMEN1
SCHEMBL24528512 0.81 KDM4E (0.37) KDM4EALDH1A1LMNAATMMEN1
SCHEMBL24528715 0.80 KDM4E (0.38) KDM4EALDH1A1LMNAATMMEN1
SCHEMBL29680698 0.80 KDM4E (0.38) KDM4EALDH1A1LMNAATMMEN1
SCHEMBL24528636 0.80 NUDT1 (0.41) KDM4EALDH1A1LMNAATMMEN1
SCHEMBL29680600 0.79 TMEM97 (0.43) KDM4EMEN1KMT2AMAPTMAPK1
SCHEMBL24528695 0.79 KDM4E (0.34) KDM4EALDH1A1LMNAATMMAPK1

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