SCHEMBL15948883

SCHEMBL15948883

CCCCOC1CC(n2cnc3c(N)ncnc32)C1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.56
ADCY5 O95622 4/20 0.55
PI4KA P42356 3/20 0.53
PI4K2B Q8TCG2 3/20 0.53
PI4K2A Q9BTU6 3/20 0.53
PI4KB Q9UBF8 3/20 0.53
ADORA3 P0DMS8 3/20 0.53
ADORA1 P30542 3/20 0.53
ADORA2B P29275 2/20 0.53
AHCY P23526 3/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
NFKB1 P19838 1/20 0.48
THPO P40225 1/20 0.48
BLM P54132 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
EHMT1 Q9H9B1 1/20 0.47

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
SCHEMBL10220090 0.83 ADORA2A (0.55) ADORA2AADCY5PI4KAPI4K2BPI4K2A
SCHEMBL10421736 0.83 ADCY5 (0.63) ADORA2AADCY5PI4KAPI4K2BPI4K2A
SCHEMBL9471329 0.82 ADCY5 (0.54) ADORA2AADCY5PI4KAPI4K2BPI4K2A
SCHEMBL15948858 0.79 ADCY5 (0.56) ADORA2AADCY5PI4KAPI4K2BPI4K2A
SCHEMBL14440974 0.78 AHCY (0.53) AHCYEHMT1
SCHEMBL16769993 0.78 ADK (0.47)
SCHEMBL10421735 0.78 ADCY5 (0.60) ADORA2AADCY5PI4KAPI4K2BPI4K2A
SCHEMBL15948724 0.78 ADCY5 (0.60) ADORA2AADCY5PI4KAPI4K2BPI4K2A
SCHEMBL15942373 0.78 ADCY5 (0.57) ADORA2AADCY5PI4KAPI4K2BPI4K2A
SCHEMBL15942372 0.78 ADCY5 (0.57) ADORA2AADCY5PI4KAPI4K2BPI4K2A

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-2014124430-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2014-08-14 WO disclosed