SCHEMBL27807904

SCHEMBL27807904

COc1ccc(-c2cccc3c(N)c4c(nc23)CN(C2CCCC2)C4C=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 15/20 0.42
▸ MTOR P42345 9/20 0.42
▸ JAK2 O60674 1/20 0.36
▸ AKT1 P31749 2/20 0.34

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
SCHEMBL27786000 0.87 MAPK10 (0.36) PIK3CAMTORAKT1
SCHEMBL27807929 0.87 PIK3CA (0.34) PIK3CAMTOR
SCHEMBL27807913 0.85 BRD9 (0.36) PIK3CA
SCHEMBL27807930 0.85 MAPK10 (0.36) PIK3CAMTORAKT1
SCHEMBL27785948 0.85 GABRG2 (0.34) PIK3CAMTOR
SCHEMBL27807921 0.84 CHRNB1 (0.37) PIK3CAAKT1
SCHEMBL27786011 0.84 BRD9 (0.36) PIK3CA
SCHEMBL28784328 0.83 PIK3CA (0.38) PIK3CAMTORAKT1
SCHEMBL27785974 0.83 GABRG2 (0.33) PIK3CAMTOR
SCHEMBL27786149 0.83 PIK3CA (0.42) PIK3CA

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
CN-101778849-A Fused quinoline derivatives useful as gaba modulators ASTRAZENECA AB 2010-07-14 — — CN claimed
CN-101778849-A Fused quinoline derivatives useful as gaba modulators ASTRAZENECA AB 2010-07-14 — — CN disclosed
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