SCHEMBL18049826

SCHEMBL18049826

N#Cc1ccc(NC(=O)c2cccnc2NCC2COC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.51
▸ PDPK1 O15530 1/20 0.48
▸ RET P07949 1/20 0.46
▸ MAP3K20 Q9NYL2 1/20 0.46
▸ RIPK3 Q9Y572 1/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ MAPT P10636 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ KDR P35968 9/20 0.45
▸ GAA P10253 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GRM5 P41594 1/20 0.42

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
SCHEMBL18048951 0.87 EGLN1 (0.50) EGLN1PDPK1RETMAP3K20RIPK3
SCHEMBL18070981 0.87 EGLN1 (0.50) EGLN1PDPK1RETMAP3K20RIPK3
SCHEMBL18048936 0.86 KDR (0.61) PDPK1ABCB1MEN1MAPTKMT2A
SCHEMBL18049021 0.86 KMT2A (0.60) PDPK1ABCB1MEN1MAPTKMT2A
SCHEMBL18070935 0.86 KDR (0.48) ABCB1MEN1MAPTKMT2AKDM4E
SCHEMBL18070938 0.85 MEN1 (0.50) PDPK1RETMAP3K20RIPK3ABCB1
SCHEMBL18048967 0.83 KDR (0.64) EGLN1ABCB1MEN1MAPTKMT2A
SCHEMBL18070993 0.82 KDR (0.48) PDPK1RETMAP3K20RIPK3ABCB1
SCHEMBL18048978 0.81 KDR (0.63) ABCB1MEN1MAPTKMT2AKDM4E
SCHEMBL18070997 0.81 KDR (0.49) EGLN1PDPK1RETMAP3K20RIPK3

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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