SCHEMBL27786019

SCHEMBL27786019

CCN1Cc2nc3c(-c4cnccc4OC)cccc3c(N)c2C1C=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 14/20 0.47
▸ GABRB3 P28472 14/20 0.47
▸ GABRA2 P47869 14/20 0.47
▸ LCK P06239 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ GABRA1 P14867 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ ADORA2A P29274 2/20 0.32
▸ NAAA Q02083 1/20 0.31

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
SCHEMBL27786138 0.88 GABRG2 (0.42) GABRG2GABRB3GABRA2LCKBTK
SCHEMBL27785938 0.88 BTK (0.47) GABRG2GABRB3GABRA2LCKBTK
SCHEMBL27807917 0.87 GABRG2 (0.36) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL27807915 0.87 GABRG2 (0.41) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL27785942 0.86 GABRG2 (0.42) GABRG2GABRB3GABRA2LCKBTK
SCHEMBL27807958 0.85 GABRG2 (0.36) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL27786270 0.84 GABRG2 (0.41) GABRG2GABRB3GABRA2LCKBTK
SCHEMBL27785960 0.84 PIK3CA (0.35) GABRG2GABRB3GABRA2BTKGABRA5
SCHEMBL27807995 0.83 GABRG2 (0.34) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL27785975 0.82 GABRA1 (0.34) GABRG2GABRB3GABRA2GABRA1GABRA5

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