SCHEMBL29482182

SCHEMBL29482182

COC(=O)[C@H](CCNC(=O)OC(C)(C)C)Nc1ncc(-c2ccccc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.46
SKP1 P63208 2/20 0.46
SKP2 Q13309 2/20 0.46
IDO1 P14902 2/20 0.42
NPSR1 Q6W5P4 5/20 0.41
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
USP30 Q70CQ3 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 1/20 0.40
PAX8 Q06710 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
KLK5 Q9Y337 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
GABRA5 P31644 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39

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
SCHEMBL29482179 0.85 TDP1 (0.39) CKS1BSKP1SKP2NPSR1MAPT
SCHEMBL29482188 0.81 ANPEP (0.38) KMT2AALDH1A1
SCHEMBL29482185 0.81 ANPEP (0.38) KMT2AALDH1A1
SCHEMBL17155011 0.79 MAPK8 (0.37) KLK5NPR3
SCHEMBL17155379 0.78 MAPK8 (0.37) NPSR1MAPTTDP1KDM4EPOLB
SCHEMBL6503512 0.77 SYK (0.41) CKS1BSKP1SKP2IDO1NPSR1
SCHEMBL18878470 0.76 CA1 (0.49) IDO1NPSR1MAPTTDP1MEN1
SCHEMBL14561127 0.74 SYK (0.61) IDO1MAPTALDH1A1KLK5CTSS
SCHEMBL11919227 0.73 MEN1 (0.50) IDO1NPSR1TDP1MEN1KMT2A
SCHEMBL5926274 0.73 CTSS (0.57) IDO1POLBKLK5CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481814-B1 TETRAHYDRONAPHTHYRIDINEPENTANAMIDE INTEGRIN ANTAGONISTS UNIV ROCKEFELLER (US) 2022-04-27 EP disclosed