SCHEMBL21666182

SCHEMBL21666182

Cc1cccc(-c2nc3ccc(N4CCOCC4)cc3c(=O)[nH]2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.52
▸ CBFB Q13951 1/20 0.52
▸ FGFR1 P11362 2/20 0.48
▸ FLT1 P17948 2/20 0.48
▸ PDGFRB P09619 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TNKS O95271 1/20 0.47
▸ PARP1 P09874 1/20 0.47
▸ TNKS2 Q9H2K2 1/20 0.47
▸ TDO2 P48775 1/20 0.47
▸ IDO2 Q6ZQW0 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL21666183 0.90 KDM4E (0.58) STAT3FGFR1PDGFRBKDRKDM4E
SCHEMBL23293905 0.81 STAT3 (0.49) STAT3CBFBFGFR1FLT1PDGFRB
SCHEMBL18643544 0.81 STAT3 (0.61) STAT3FGFR1FLT1PDGFRBKDR
SCHEMBL14877387 0.80 FGFR1 (0.53) STAT3CBFBFGFR1FLT1PDGFRB
SCHEMBL21524689 0.75 STAT3 (0.53) STAT3FGFR1FLT1PDGFRBKDR
SCHEMBL14877401 0.75 PDGFRB (0.57) STAT3CBFBFGFR1FLT1PDGFRB
SCHEMBL14877218 0.74 FGFR1 (0.50) STAT3CBFBFGFR1FLT1PDGFRB
SCHEMBL2913480 0.74 NPC1 (0.64) KDM4EALDH1A1MAPTHPGDTNKS
SCHEMBL120730 0.73 KDM4E (0.49) STAT3KDM4EALDH1A1MAPTMEN1
SCHEMBL30434730 0.73 KDM4E (0.49) STAT3KDM4EALDH1A1MAPTMEN1

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
WO-2020021064-A1 SUBSTITUTED QUINAZOLINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 DOMAIN THERAPEUTICS (FR) 2020-01-30 — — WO disclosed
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