SCHEMBL24528587

SCHEMBL24528587

CN1CCN(CCC/N=C\c2ccc(-c3nc(-c4ccc(/C=N/CCCN5CCN(C)CC5)cc4)nc4ccsc34)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.35
PRKCI P41743 1/20 0.34
MTOR P42345 4/20 0.33
PIK3CA P42336 3/20 0.33
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
TLR9 Q9NR96 1/20 0.33
RAF1 P04049 1/20 0.33
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33
FLT3 P36888 1/20 0.33
CXCR1 P25024 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL29681009 1.00 KDM4E (0.40) KDM4EALDH1A1ALOX15PRKCIMTOR
SCHEMBL24528588 0.91 ALDH1A1 (0.36) KDM4EALDH1A1ALOX15PRKCIMTOR
SCHEMBL29681239 0.85 KDM4E (0.40) KDM4EALDH1A1ALOX15PRKCITLR9
SCHEMBL24528660 0.85 KDM4E (0.40) KDM4EALDH1A1ALOX15PRKCITLR9
SCHEMBL24528628 0.82 ADORA2A (0.34) ALDH1A1MTORPIK3CATLR9PDGFRB
SCHEMBL29681200 0.79 KDM4E (0.40) KDM4EALDH1A1ALOX15MTORPIK3CA
SCHEMBL24528685 0.79 KDM4E (0.40) KDM4EALDH1A1ALOX15MTORPIK3CA
SCHEMBL29680541 0.76 AKT1 (0.47) MTORPIK3CATLR7RAD52
SCHEMBL24528662 0.75 ALDH1A1 (0.36) KDM4EALDH1A1ALOX15SMN1; SMN2
SCHEMBL24528648 0.74 RAD52 (0.37) KDM4EALDH1A1TLR9FLT3NPC1

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