SCHEMBL27785181

SCHEMBL27785181

COc1c(N)nc(-c2ccc(Cl)c(C(C)F)c2)nc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.41
▸ DHPS P49366 12/20 0.37
▸ NEK2 P51955 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ PRKAB2 O43741 2/20 0.34
▸ PRKAG1 P54619 2/20 0.34
▸ PRKAA2 P54646 2/20 0.34
▸ PRKAA1 Q13131 2/20 0.34
▸ PRKAG3 Q9UGI9 2/20 0.34
▸ PRKAG2 Q9UGJ0 2/20 0.34
▸ PRKAB1 Q9Y478 2/20 0.34

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
SCHEMBL1397108 0.87 SLC10A2 (0.40) KDM4EALDH1A1HSD17B10
SCHEMBL1397142 0.84 KMO (0.44) KMODHPSNEK2KDM4EALDH1A1
SCHEMBL1397030 0.79 DHPS (0.54) KMODHPSNEK2KDM4EALDH1A1
SCHEMBL1397033 0.78 DHPS (0.36) KMODHPSKDM4EALDH1A1HSD17B10
SCHEMBL1918257 0.77 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL20727090 0.76 POLB (0.41) DHPSKDM4E
SCHEMBL20727040 0.76 KMO (0.43) KMODHPSNEK2AKR1C3AKR1C2
SCHEMBL16036648 0.75 NEK2 (0.40) DHPSNEK2HSD17B10
SCHEMBL16035711 0.75 NEK2 (0.40) DHPSNEK2
SCHEMBL29556583 0.75 NEK2 (0.40) DHPSNEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101784531-B 2- (substituted phenyl) -6-amino-5-alkoxy, thioalkoxy and aminoalkyl-4-pyrimidinecarboxylic acid derivatives and their use as herbicides DOW AGROSCIENCES LLC 2013-05-01 — — CN claimed
CN-103254137-A 2-(substituted phenyl)-6-amino-5-alkoxy, thioalkoxy and aminoalkyl-4-pyrimidinecarboxylates and use thereof as herbicides DOW AGROSCIENCES LLC 2013-08-21 — — CN disclosed
CN-101784531-B 2- (substituted phenyl) -6-amino-5-alkoxy, thioalkoxy and aminoalkyl-4-pyrimidinecarboxylic acid derivatives and their use as herbicides DOW AGROSCIENCES LLC 2013-05-01 — — CN disclosed
CN-101784531-A 2- (substituted phenyl) -6-amino-5-alkoxy, thioalkoxy and aminoalkyl-4-pyrimidinecarboxylic acid derivatives and their use as herbicides DOW AGROSCIENCES LLC 2010-07-21 — — CN disclosed
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