SCHEMBL27786174

SCHEMBL27786174

COc1ccc(-c2c(F)ccc3c(N)c4c(nc23)CN(C2CC2)C4C=O)c(OC)n1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 4/20 0.50
▸ GABRB3 P28472 4/20 0.50
▸ GABRA2 P47869 4/20 0.50
▸ BRD9 Q9H8M2 1/20 0.30
▸ BRD7 Q9NPI1 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
SCHEMBL27807948 0.97 GABRG2 (0.49) GABRG2GABRB3GABRA2BRD9BRD7
SCHEMBL27807951 0.87 GABRG2 (0.37) GABRG2GABRB3GABRA2
SCHEMBL27807963 0.86 GABRG2 (0.50) GABRG2GABRB3GABRA2BRD9BRD7
SCHEMBL27807906 0.85 GABRG2 (0.36) GABRG2GABRB3GABRA2
SCHEMBL27807957 0.84 GABRG2 (0.36) GABRG2GABRB3GABRA2
SCHEMBL27808006 0.84 PIK3CA (0.37) GABRG2GABRB3GABRA2
SCHEMBL27807949 0.82 GABRG2 (0.35) GABRG2GABRB3GABRA2
SCHEMBL27786011 0.82 BRD9 (0.36) GABRG2GABRB3GABRA2BRD9BRD7
SCHEMBL27807913 0.82 BRD9 (0.36) GABRG2GABRB3GABRA2BRD9BRD7
SCHEMBL27807919 0.82 GABRG2 (0.33) GABRG2GABRB3GABRA2

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
Send feedback