SCHEMBL5513295

SCHEMBL5513295

Nc1ncn(CF)c2ncnc1-2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.35
ADORA1 P30542 4/20 0.35
PI4KA P42356 3/20 0.35
PI4K2B Q8TCG2 3/20 0.35
PI4K2A Q9BTU6 3/20 0.35
PI4KB Q9UBF8 3/20 0.35
ADORA2B P29275 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
AHCY P23526 5/20 0.30
LMNA P02545 1/20 0.30
NSD2 O96028 1/20 0.30
NSD3 Q9BZ95 1/20 0.30

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
SCHEMBL9108201 0.83 ADORA2A (0.36) ADORA2AADORA1PI4KAPI4K2BPI4K2A
3-Propyladenine SCHEMBL15756434 0.79 ADORA2A (0.53) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL170695 0.77 ADORA2A (0.41) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL21121675 0.76 ALDH1A1 (0.46) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL21121650 0.76 ADORA2A (0.40) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL13997084 0.76 ADORA2A (0.43) ADORA2AADORA1PI4KAPI4K2BPI4K2A
3-Benzyladenine SCHEMBL5352368 0.75 ADORA2A (0.56) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL21121745 0.75 PDE4A (0.48) ADORA2AADORA1ALDH1A1LMNA
SCHEMBL21121608 0.75 ALDH1A1 (0.40) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL21121959 0.74 KCNH2 (0.44) ADORA2API4KAPI4K2BPI4K2API4KB

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
US-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed