SCHEMBL18049838

SCHEMBL18049838

C#CCNc1ncccc1C(=O)Nc1ccc(C(F)(F)F)c(C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 7/20 0.52
▸ MEN1 O00255 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ GRM4 Q14833 3/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ MALT1 Q9UDY8 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ PDPK1 O15530 1/20 0.41
▸ SLC22A12 Q96S37 1/20 0.41

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
SCHEMBL18049791 0.84 KDR (0.61) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18070993 0.83 KDR (0.48) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18070874 0.82 KDR (0.47) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18049017 0.82 KDR (0.47) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18070887 0.81 GRM4 (0.52) KDRMEN1MAPTKMT2AALDH1A1
SCHEMBL18070901 0.81 KDR (0.46) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18070900 0.81 KDR (0.46) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18049023 0.81 KDR (0.46) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18070873 0.79 KDR (0.44) KDRMEN1MAPTKMT2AL3MBTL1
SCHEMBL18049814 0.77 KDR (0.63) KDRMEN1MAPTKMT2AL3MBTL1

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
WO-2016144792-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
WO-2016144792-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
WO-2016144797-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
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