SCHEMBL2455907

SCHEMBL2455907

Nc1nc(N2CCCC2)n[nH]1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.69
MAPT P10636 1/20 0.61
ALDH1A1 P00352 4/20 0.57
GFER P55789 2/20 0.57
CHIA Q9BZP6 8/20 0.46
CHIT1 Q13231 6/20 0.46
KCNH2 Q12809 2/20 0.45
HRH1 P35367 1/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL9793471 0.98 GAA (0.67) GAAMAPTALDH1A1GFERCHIA
SCHEMBL20628967 0.82 CHIT1 (0.60) GAAMAPTALDH1A1GFERCHIA
SCHEMBL9793417 0.82 GAA (0.62) GAAMAPTALDH1A1GFERCHIA
SCHEMBL1994355 0.82 GAA (1.00) GAAMAPTALDH1A1GFERCHIA
SCHEMBL31387185 0.76 GAA (0.56) GAAMAPTALDH1A1GFERCHIA
SCHEMBL31214493 0.75 GAA (0.63) GAAMAPTALDH1A1GFERCHIA
SCHEMBL25037188 0.74 GAA (0.53) GAAMAPTALDH1A1GFERCHIA
SCHEMBL25036705 0.71 GAA (0.54) GAAMAPTALDH1A1GFERCHIA
SCHEMBL31214557 0.70 GAA (0.57) GAAMAPTALDH1A1GFERCHIA
SCHEMBL18610008 0.69 CHIT1 (0.60) GAAMAPTCHIACHIT1KCNH2

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-2011114148-A1 4H- [1, 2, 4] TRIAZOLO [5, 1 -B] PYRIMIDIN-7 -ONE DERIVATIVES AS CCR2B RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2011-09-22 WO disclosed