SCHEMBL25569672

SCHEMBL25569672

N#Cc1ccc2c(c1)C1c3cc(-c4nc(-c5ccccc5)c(C#N)c(-c5ccccc5)n4)c(C#N)cc3C13c1ccccc1C23

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 19/20 0.41
ADORA2A P29274 15/20 0.41
ADORA2B P29275 8/20 0.39
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL25567930 0.76 PDK2 (0.36)
SCHEMBL25568075 0.76 MEN1 (0.31) HSD17B10MEN1KMT2A
SCHEMBL25568072 0.71 ALOX5 (0.35) MEN1KMT2A
SCHEMBL25569669 0.65 ADORA2A (0.41) ADORA1ADORA2AHSD17B10MEN1KMT2A
SCHEMBL25567260 0.65 GRM4 (0.30)
SCHEMBL25567694 0.64 MEN1 (0.40) ADORA1ADORA2AHSD17B10MEN1KMT2A
SCHEMBL25568074 0.62 ABCG2 (0.41) ADORA1ADORA2AHSD17B10MEN1KMT2A
SCHEMBL25567820 0.62 STS (0.39) ADORA1ADORA2A
SCHEMBL20041347 0.62 ADORA1 (0.77) ADORA1ADORA2AHSD17B10MEN1KMT2A
SCHEMBL25567624 0.61 ADRA2C (0.38) ADORA1ADORA2A

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-2023094412-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-01 WO disclosed