SCHEMBL31378286

SCHEMBL31378286

N#Cc1c(N)nc(S)c(C#N)c1-c1ccc(OC2CC(F)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
ADORA1 P30542 13/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ADORA2B P29275 8/20 0.41
HTR1B P28222 1/20 0.41
OPRK1 P41145 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ADORA2A P29274 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL31378332 1.00 KDM4E (0.43) KDM4EALDH1A1GAAADORA1MAPT
SCHEMBL25361368 0.88 KDM4E (0.43) KDM4EALDH1A1GAAADORA1MAPT
SCHEMBL25360809 0.86 KDM4E (0.42) KDM4EALDH1A1GAAADORA1MAPT
SCHEMBL923971 0.82 ADORA2A (0.42) KDM4EALDH1A1GAAADORA1MAPT
SCHEMBL31378314 0.80 ADORA2B (0.52) KDM4EALDH1A1ADORA1MAPTADORA2B
SCHEMBL3359383 0.77 KDM4E (0.60) KDM4EALDH1A1GAAADORA1MAPT
SCHEMBL8010386 0.76 ADORA2B (0.43) KDM4EALDH1A1GAAADORA1MAPT
SCHEMBL926683 0.76 ADORA2B (0.43) KDM4EALDH1A1GAAADORA1MAPT
SCHEMBL8012487 0.76 ADORA2B (0.43) KDM4EALDH1A1GAAADORA1MAPT
SCHEMBL926851 0.76 ADORA2B (0.43) KDM4EALDH1A1GAAADORA1MAPT

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-2025038781-A1 ADENOSINE LIGANDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS OR CHRONIC HEART FAILURE LUCY THERAPEUTICS, INC. (US) 2025-02-20 WO disclosed