SCHEMBL6989458

SCHEMBL6989458

N#Cc1cc(-c2cccc(OC(F)(F)F)c2)c(-c2ccco2)nc1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.67
ADORA2A P29274 10/20 0.53
ADORA2B P29275 6/20 0.43
KDM5A P29375 1/20 0.42
ATR Q13535 1/20 0.42
XDH P47989 2/20 0.42
USP7 Q93009 1/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
CASP1 P29466 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PSMD14 O00487 1/20 0.40
USP2 O75604 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL6775680 0.91 ADORA1 (0.54) ADORA1ADORA2AADORA2BMEN1ALDH1A1
SCHEMBL6771685 0.86 HPGD (0.52) ADORA1ADORA2AADORA2BMEN1ALDH1A1
SCHEMBL6769069 0.85 ADORA1 (0.48) ADORA1ADORA2AADORA2BCTSSMEN1
SCHEMBL6770039 0.84 PIK3R1 (0.52) ADORA1ADORA2AADORA2BMEN1ALDH1A1
SCHEMBL6770608 0.83 ADORA1 (0.46) ADORA1ADORA2AADORA2BMEN1ALDH1A1
SCHEMBL6775541 0.82 ADORA1 (0.52) ADORA1ADORA2AADORA2BMEN1ALDH1A1
SCHEMBL6774916 0.82 ADORA1 (0.51) ADORA1ADORA2AADORA2BMEN1ALDH1A1
SCHEMBL6768976 0.82 ADORA2A (0.60) ADORA1ADORA2AADORA2BMEN1ALDH1A1
SCHEMBL6768602 0.81 ADORA1 (0.48) ADORA1ADORA2AADORA2BMEN1ALDH1A1
SCHEMBL6765760 0.81 ADORA1 (0.64) ADORA1ADORA2AADORA2BMEN1ALDH1A1

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
EP-1308441-A1 2-AMINOPYRIDINE COMPOUNDS AND USE THEREOF AS DRUGS Eisai Co., Ltd. (JP) 2003-05-07 EP disclosed