Urea

Urea

SCHEMBL2190330

NC(N)=O.Nc1n[nH]c2ccccc12

nearest known ligand 0.80

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.80
GAA P10253 2/20 0.80
PDPK1 O15530 1/20 0.80
CYP3A4 P08684 1/20 0.80
YTHDC1 Q96MU7 1/20 0.50
STAT3 P40763 1/20 0.50
HIF1A Q16665 1/20 0.50
JAK2 O60674 5/20 0.49
JAK1 P23458 3/20 0.49
MAP2K4 P45985 2/20 0.49
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
FLT3 P36888 1/20 0.47
CCNA1 P78396 1/20 0.47
CYP1A2 P05177 1/20 0.47
IDO1 P14902 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ALPL P05186 1/20 0.47
HPGD P15428 1/20 0.47
TTK P33981 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
Carbamic Acid SCHEMBL1857015 0.94 KDM4E (0.77) KDM4EGAAPDPK1CYP3A4YTHDC1
Bicarbonate SCHEMBL1573525 0.92 KDM4E (0.80) KDM4EGAAPDPK1CYP3A4YTHDC1
SCHEMBL29481432 0.89 PDPK1 (1.00) KDM4EGAAPDPK1CYP3A4JAK2
SCHEMBL18878 0.89 PDPK1 (1.00) KDM4EGAAPDPK1CYP3A4JAK2
Trifluoroacetic Acid SCHEMBL18096685 0.84 KDM4E (0.67) KDM4EGAAPDPK1CYP3A4YTHDC1
SCHEMBL9042255 0.80 KDM4E (0.73) KDM4EGAAPDPK1CYP3A4YTHDC1
SCHEMBL82761 0.78 KDM4E (0.62) KDM4EGAAPDPK1CYP3A4YTHDC1
Hydrochloric Acid SCHEMBL5071439 0.77 KDM4E (0.60) KDM4EGAAPDPK1CYP3A4YTHDC1
Hydrochloric Acid SCHEMBL2175299 0.77 KDM4E (0.60) KDM4EGAAPDPK1CYP3A4YTHDC1
Hydrochloric Acid SCHEMBL30404733 0.77 KDM4E (0.60) KDM4EGAAPDPK1CYP3A4YTHDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102197-B1 5-([1,3,4]OXADIAZOL-2-YL)-1H-INDAZOL AND 5-([1,3,4]THIADIAZOL-2-YL)-1H-INDAZOL DERIVATIVES AS SGK INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2011-07-13 EP disclosed
EP-2102197-A1 5-([1,3,4]OXADIAZOL-2-YL)-1H-INDAZOL AND 5-([1,3,4]THIADIAZOL-2-YL)-1H-INDAZOL DERIVATIVES AS SGK INHIBITORS FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2009-09-23 EP disclosed
CN-101489551-A Aminoindazole urea derivatives MERCK PATENT GMBH (DE) 2009-07-22 CN disclosed
EP-2040701-A2 AMINOINDAZOLE UREA DERIVATIVES Merck Patent GmbH (DE) 2009-04-01 EP disclosed
WO-2008086854-A1 5-([1,3,4] OXADIAZOL-2-YL)-1H-INDAZOL AND 5-([1,3,4] THIADIAZOL-2-YL)-1H-INDAZOL DERIVATIVES AS SGK INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2008-07-24 WO disclosed
WO-2008009335-A3 AMINOINDAZOLE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2008-02-28 WO disclosed
WO-2008009335-A2 AMINOINDAZOLE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2008-01-24 WO disclosed