SCHEMBL2906659

SCHEMBL2906659

COC1(Cn2cnc3c(N)ncnc32)CC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.56
ADORA1 P30542 5/20 0.56
ADORA2B P29275 1/20 0.56
PI4KA P42356 2/20 0.55
PI4K2B Q8TCG2 2/20 0.55
PI4K2A Q9BTU6 2/20 0.55
PI4KB Q9UBF8 2/20 0.55
NSD3 Q9BZ95 3/20 0.52
ALDH1A1 P00352 1/20 0.51
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NSD2 O96028 2/20 0.49
ADCY1 Q08828 1/20 0.48
AHCY P23526 1/20 0.48
HPGD P15428 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
SCHEMBL2906656 0.88 ADORA2A (0.55) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL3290251 0.81 FGFR1 (0.60) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL4273059 0.81 ADORA2A (0.47) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL13328650 0.78 CYP3A4 (0.48) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL2904399 0.78 ADORA2A (0.54) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL2913580 0.77 CYP3A4 (0.50) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL10835443 0.76 ADORA2A (0.56) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL2942704 0.76 FAP (0.51) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL11222112 0.75 ADORA2A (0.80) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL7165319 0.75 NSD3 (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358198-B1 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG LIFE SCIENCES LTD (KR) 2010-08-25 EP claimed