SCHEMBL8911544

SCHEMBL8911544

Cc1cn(-c2cc3c(cc2C(F)(F)F)[nH]c(=O)c2n[nH]c(=O)n23)c(-c2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.36
GRIA2 P42262 2/20 0.36
GRIA3 P42263 2/20 0.36
GRIA4 P48058 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
G6PD P11413 1/20 0.35
PKM P14618 1/20 0.35
ALOX12 P18054 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
PDE5A O76074 1/20 0.35

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
Hydrochloric Acid SCHEMBL8913459 0.99 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4HPGD
SCHEMBL8911174 0.87 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4
Hydrochloric Acid SCHEMBL8912261 0.86 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911955 0.83 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8186918 0.80 KDM4E (0.37) GRIA1GRIA2GRIA3GRIA4HPGD
SCHEMBL8912076 0.80 GRIA1 (0.39) GRIA1GRIA2GRIA3GRIA4ADORA3
SCHEMBL8198093 0.79 MEN1 (0.38) GRIA1GRIA2GRIA3GRIA4HPGD
SCHEMBL8198097 0.78 MEN1 (0.37) GRIA1GRIA2GRIA3GRIA4HPGD
SCHEMBL8911468 0.78 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911163 0.77 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0698024-B1 [1,2,4]TRIAZOLO [4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1997-01-22 EP claimed
EP-0698024-B1 [1,2,4]TRIAZOLO [4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1997-01-22 EP disclosed
US-5532236-A TREATMENT OF PARKINSON'S DISEASE NOVO NORDISK A/S (DK) 1996-07-02 US disclosed
EP-0698024-A1 1,2,4]TRIAZOLO 4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1996-02-28 EP disclosed
WO-1994026746-A1 [1,2,4]TRIAZOLO[4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-11-24 WO disclosed