SCHEMBL11222112

SCHEMBL11222112

Nc1ncnc2c1ncn2CCn1cnc2c(N)ncnc21

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.80
ADORA1 P30542 5/20 0.80
ADORA2B P29275 1/20 0.80
PI4KA P42356 3/20 0.73
PI4K2B Q8TCG2 3/20 0.73
PI4K2A Q9BTU6 3/20 0.73
PI4KB Q9UBF8 3/20 0.73
NSD3 Q9BZ95 5/20 0.61
NSD2 O96028 4/20 0.61
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ADCY5 O95622 1/20 0.61

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
SCHEMBL5033136 0.91 ADORA2A (0.73) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL2638103 0.91 ADORA2A (0.73) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL15841807 0.89 ADORA2A (0.71) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL233405 0.89 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL30289754 0.89 ADORA2A (0.71) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL16762626 0.89 ADORA2A (0.71) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL29387721 0.89 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL2638100 0.89 ADORA2A (0.71) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL218588 0.89 ADORA2A (0.71) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL984944 0.89 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B

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
JP-57054189-A None JP disclosed
JP-S5754189-A LAYERED COMPOUND CONTAINING NUCLEIC ACID BASE KYOWA HAKKO KOGYO CO LTD 1982-03-31 JP disclosed