SCHEMBL1662991

SCHEMBL1662991

O=C1CC(N2CCN(C(=O)c3nn4c(C(F)(F)F)cc(C5CC5)cc4c3Cl)CC2=O)CN1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.39
▸ USP2 O75604 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PARP1 P09874 1/20 0.30
▸ PARP2 Q9UGN5 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
SCHEMBL12795937 0.93 P2RX7 (0.39) P2RX7USP2GAAHPGDALDH1A1
SCHEMBL1662663 0.88 P2RX7 (0.48) P2RX7USP2GAAHPGDALDH1A1
SCHEMBL1665293 0.88 P2RX7 (0.51) P2RX7USP2GAAHPGDALDH1A1
SCHEMBL1662826 0.87 P2RX7 (0.42) P2RX7USP2GAAHPGDALDH1A1
SCHEMBL1663508 0.86 P2RX7 (0.43) P2RX7USP2GAAHPGDALDH1A1
SCHEMBL1662639 0.86 P2RX7 (0.43) P2RX7USP2GAAHPGDALDH1A1
SCHEMBL1662692 0.86 P2RX7 (0.41) P2RX7USP2GAAHPGDALDH1A1
SCHEMBL1662691 0.86 P2RX7 (0.41) P2RX7USP2GAAHPGDALDH1A1
SCHEMBL1662677 0.86 P2RX7 (0.43) P2RX7USP2GAAHPGDALDH1A1
SCHEMBL12795935 0.86 P2RX7 (0.40) P2RX7USP2GAAHPGDALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011050284-A1 PYRAZOLYLPYRIDINE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-28 — — WO claimed
WO-2011050284-A1 PYRAZOLYLPYRIDINE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-28 — — WO disclosed
WO-2011050284-A1 PYRAZOLYLPYRIDINE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-28 — — WO disclosed
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