SCHEMBL15554602

SCHEMBL15554602

Cn1cc(-c2cnc3[nH]cc(-c4ccc(OC5CCOCC5)c(F)c4)c3c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 5/20 0.53
▸ IL2 P60568 3/20 0.53
▸ ALK Q9UM73 8/20 0.51
▸ TBK1 Q9UHD2 2/20 0.51
▸ KIT P10721 3/20 0.48
▸ MAPK8 P45983 2/20 0.48
▸ MAPK9 P45984 2/20 0.48
▸ MAPK10 P53779 2/20 0.48

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
SCHEMBL15554013 0.90 MAP4K1 (0.53) MAP4K1IL2ALKTBK1KIT
SCHEMBL15554206 0.88 PIK3CD (0.51) MAP4K1IL2ALKTBK1KIT
SCHEMBL14977054 0.87 TBK1 (0.68) TBK1
SCHEMBL15554849 0.86 MAPK8 (0.54) MAP4K1IL2ALKTBK1KIT
SCHEMBL14977091 0.78 TBK1 (0.55) ALKTBK1MAPK8MAPK9MAPK10
SCHEMBL14975973 0.78 TBK1 (0.57) ALKTBK1KIT
SCHEMBL14976819 0.78 TBK1 (0.56) MAP4K1IL2ALKTBK1KIT
SCHEMBL12501111 0.78 PDPK1 (0.48) ALKTBK1MAPK8MAPK9MAPK10
SCHEMBL14981860 0.77 TBK1 (0.61) TBK1
SCHEMBL14977031 0.77 TBK1 (0.62) TBK1

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-2014004863-A2 COMPOUNDS, COMPOSITIONS, AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-01-03 — — WO claimed
WO-2014004863-A2 COMPOUNDS, COMPOSITIONS, AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-01-03 — — WO disclosed
WO-2014004863-A2 COMPOUNDS, COMPOSITIONS, AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-01-03 — — WO disclosed
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