SCHEMBL6555284

SCHEMBL6555284

O=C(O)/C=C/c1ccc(-c2nc3c(=O)n(Cc4ccccc4F)c(=O)n(Cc4ccccc4F)c3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 9/20 0.56
▸ ADORA3 P0DMS8 6/20 0.48
▸ ADORA2A P29274 4/20 0.48
▸ ADORA1 P30542 4/20 0.48
▸ PTPN1 P18031 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GPR183 P32249 1/20 0.37
▸ GUCY1A1 Q02108 2/20 0.36
▸ GUCY1B1 Q02153 2/20 0.36
▸ PCK1 P35558 1/20 0.35
▸ MAPT P10636 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
SCHEMBL6555287 1.00 ADORA2B (0.56) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL6554077 0.88 ADORA2B (0.72) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL6554070 0.88 ADORA2B (0.72) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL6555301 0.85 ADORA2B (0.60) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL6555310 0.85 ADORA2B (0.60) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL6553594 0.84 ADORA2B (0.40) ADORA2BADORA3ADORA2AADORA1ALDH1A1
SCHEMBL6553611 0.84 ADORA2B (0.59) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL6553600 0.84 ADORA2B (0.59) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL6555316 0.81 ADORA2B (0.60) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL6555325 0.81 ADORA2B (0.60) ADORA2BADORA3ADORA2AADORA1PTPN1

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-1104422-B1 PHENYL XANTHINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-02-18 — — EP disclosed
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