SCHEMBL73115

SCHEMBL73115

Brc1cccc(Nc2ccon2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.45
ABCG2 Q9UNQ0 2/20 0.44
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44
EGFR P00533 5/20 0.44
RAPGEF4 Q8WZA2 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
KDR P35968 2/20 0.42
TNNI3K Q59H18 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
EPAS1 Q99814 1/20 0.41
IDO1 P14902 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
SCHEMBL5788078 0.78 RAB9A (0.43) BACE1RAPGEF4KMT2AMEN1KDM4E
SCHEMBL5765529 0.77 KMT2A (0.50) BACE1KMT2AMEN1KDM4EALDH1A1
SCHEMBL23794889 0.76 MEN1 (0.64) ABCG2ABCB1ABCC1EGFRRAPGEF4
SCHEMBL29961149 0.74 RAPGEF4 (0.61) ABCG2EGFRRAPGEF4KMT2AMEN1
SCHEMBL1687027 0.74 RAPGEF4 (0.61) ABCG2EGFRRAPGEF4KMT2AMEN1
SCHEMBL29961547 0.74 RAPGEF4 (0.61) ABCG2EGFRRAPGEF4KMT2AMEN1
SCHEMBL28008373 0.72 ERBB2 (0.43) EGFR
SCHEMBL8842378 0.71 KDR (0.46) ABCG2ABCB1ABCC1EGFRRAPGEF4
SCHEMBL8471004 0.70 EGFR (0.53) ABCG2ABCB1ABCC1EGFRRAPGEF4
SCHEMBL7564951 0.70 KDR (0.58) ABCG2ABCB1ABCC1EGFRRAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8131527-B1 FGFR pharmacophore compounds ASTEX THERAPEUTICS LTD. (GB) 2012-03-06 US disclosed
US-8131527-B1 FGFR pharmacophore compounds ASTEX THERAPEUTICS LTD. (GB) 2012-03-06 US disclosed
US-8131527-B1 FGFR pharmacophore compounds ASTEX THERAPEUTICS LTD. (GB) 2012-03-06 US disclosed