SCHEMBL28570569

SCHEMBL28570569

C=Cc1nnc(C2CCCN2C(=O)O)nn1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.35
PEPD P12955 1/20 0.34
XPNPEP1 Q9NQW7 1/20 0.34
CPT1A P50416 3/20 0.33
RIPK1 Q13546 1/20 0.33
MAPK1 P28482 1/20 0.31
PLA2G7 Q13093 1/20 0.31

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
SCHEMBL28570568 1.00 SRC (0.35) SRCPEPDXPNPEP1CPT1ARIPK1
SCHEMBL28576468 0.87 PEPD (0.36) SRCPEPDXPNPEP1MAPK1
SCHEMBL28576472 0.87 PEPD (0.36) SRCPEPDXPNPEP1MAPK1
SCHEMBL5649142 0.71 RIPK1 (0.42) CPT1ARIPK1
SCHEMBL5649137 0.71 RIPK1 (0.42) CPT1ARIPK1
SCHEMBL5316207 0.70 CPT1A (0.40) CPT1A
SCHEMBL28887450 0.70 SCD5 (0.34) SRCCPT1ARIPK1
SCHEMBL20187292 0.70 SCD5 (0.34) SRCCPT1ARIPK1
SCHEMBL28887421 0.69 RIPK1 (0.35) CPT1ARIPK1MAPK1
SCHEMBL20187368 0.69 RIPK1 (0.35) CPT1ARIPK1MAPK1

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
CN-112812074-B Tetrazine compound and preparation method and application thereof 四川大学华西医院 2022-06-14 CN disclosed
CN-112812074-A Tetrazine compound and preparation method and application thereof 四川大学华西医院 2021-05-18 CN disclosed