SCHEMBL27807908

SCHEMBL27807908

COc1cc(-c2cccc3c(N)c4c(nc23)CN(C2CC2)C4C=O)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 1/20 0.34
▸ ABCG2 Q9UNQ0 3/20 0.33
▸ PIK3CA P42336 2/20 0.33
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ PDE4D Q08499 3/20 0.32
▸ NPY1R P25929 1/20 0.31
▸ NPY5R Q15761 1/20 0.31
▸ ABCC1 P33527 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA2 P47869 1/20 0.31
▸ HRH4 Q9H3N8 1/20 0.30
▸ MET P08581 1/20 0.30
▸ GAK O14976 1/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ FGFR1 P11362 1/20 0.30
▸ FLT1 P17948 1/20 0.30
▸ EPHA2 P29317 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
SCHEMBL27786088 0.90 CRHR1 (0.33) SYKPDE4DNPY1RNPY5RGABRG2
SCHEMBL27785971 0.88 GABRG2 (0.33) ABCG2PIK3CAGABRG2GABRB3GABRA2
SCHEMBL27786013 0.87 PIK3CA (0.33) PIK3CASYKNPY1RNPY5RGABRG2
SCHEMBL27807912 0.86 CD274 (0.36) CD274ABCG2ALOX5APFEN1SYK
SCHEMBL27785979 0.86 GABRA1 (0.42) GABRG2GABRB3GABRA2
SCHEMBL27785952 0.86 PIK3CA (0.40) CD274PIK3CAHRH4ABL1
SCHEMBL27786017 0.85 ALK (0.35) NPY1RNPY5RGABRG2GABRB3GABRA2
SCHEMBL28784318 0.85 SSTR2 (0.35) PIK3CAGABRG2GABRB3GABRA2HRH4
SCHEMBL27785951 0.84 CRHR1 (0.41) PDE4DNPY1RNPY5RGABRG2GABRB3
SCHEMBL27785999 0.83 HRH4 (0.32) PIK3CAGABRG2GABRB3GABRA2HRH4

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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