SCHEMBL28016014

SCHEMBL28016014

Cn1ncc(-c2ccccc2CN)c1C(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.42
KAT2B Q92831 1/20 0.42
DPP4 P27487 3/20 0.41
HIF1A Q16665 1/20 0.38
PRMT5 O14744 7/20 0.36
WDR77 Q9BQA1 7/20 0.36
KMT2A Q03164 1/20 0.35
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34
PKM P14618 1/20 0.34
BRD4 O60885 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL27926087 0.87 DPP4 (0.41) BPTFKAT2BDPP4HIF1APRMT5
SCHEMBL9957742 0.80 HIF1A (0.41) HIF1AKMT2APKMBRD4KDM4E
SCHEMBL9957146 0.76 LPAR1 (0.45) HIF1AKMT2APKMKDM4EMAPT
SCHEMBL9956957 0.75 HIF1A (0.41) HIF1AKMT2APKMBRD4BRD9
SCHEMBL16003830 0.68 PDE10A (0.47) KDM4E
SCHEMBL22609479 0.67 GABRA1 (0.39) BPTFKAT2BKMT2AGAA
SCHEMBL3787333 0.67 DPP4 (0.73) DPP4CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL9957126 0.66 KDM4E (0.43) HIF1AKMT2APKMBRD4KDM4E
SCHEMBL27945135 0.66 LMNA (0.38) PKMMAPT
SCHEMBL9957150 0.66 MAPKAPK2 (0.45) KMT2APKMKDM4EMAPTGAA

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
CN-103402977-B Ingenol-3-acylate III and ingenol-3-carbamate LEO PHARMA A/S (IE) 2016-01-20 CN disclosed
CN-104529827-A Ingenol-3-acylates III and ingenol-3-carbamates LEO PHARMA AS 2015-04-22 CN disclosed
CN-103402977-A Ingenol-3-acylate III and Ingenol-3-carbamate LEO PHARMA AS 2013-11-20 CN disclosed