SCHEMBL22719403

SCHEMBL22719403

O=C(O)c1[nH]nc2c1CN(C(=O)O)CC2

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 6/20 0.33
CREBBP Q92793 3/20 0.33
BRD4 O60885 2/20 0.33
EP300 Q09472 2/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALPL P05186 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
CLK1 P49759 1/20 0.32
HCAR2 Q8TDS4 2/20 0.30

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
SCHEMBL5072629 0.87 KDM4E (0.32) CREBBPBRD4EP300KDM4EALPL
SCHEMBL21855451 0.81 DPP4 (0.35) MTHFD2CREBBPBRD4EP300DPP4
SCHEMBL22716158 0.81 MTHFD2 (0.33) MTHFD2CREBBPBRD4EP300DPP4
SCHEMBL22715571 0.81 ADORA1 (0.46) MAPK1
SCHEMBL22126903 0.80 BRD4 (0.31) CREBBPBRD4EP300DPP4DPP8
SCHEMBL24227288 0.78 PTGDR2 (0.39) DPP4DPP8DPP9DPP7KMT2A
SCHEMBL22718683 0.78
SCHEMBL22718587 0.77 MAPT (0.36) CREBBPBRD4EP300DPP4DPP8
SCHEMBL22069152 0.77
SCHEMBL28598118 0.76 CCNA2 (0.38) CREBBPBRD4EP300DPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976616-A1 FUSED HETEROCYCLIC DERIVATIVES AS ANTIVIRAL AGENTS Janssen Sciences Ireland Unlimited Company (IE) 2022-04-06 EP disclosed
WO-2020243142-A1 FUSED HETEROCYCLIC DERIVATIVES AS ANTIVIRAL AGENTS Janssen Sciences Ireland Unlimited Company (IE) 2020-12-03 WO disclosed