SCHEMBL20057098

SCHEMBL20057098

NCc1noc([C@@H](CCC(N)=O)NC(=O)NCC(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRC P12931 9/20 0.39
ZAP70 P43403 7/20 0.37
BMP1 P13497 2/20 0.35
VSIR Q9H7M9 2/20 0.35
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL20057096 0.88 VSIR (0.45) ZAP70BMP1VSIRCD274
SCHEMBL20057341 0.88 VSIR (0.45) ZAP70BMP1VSIRCD274
SCHEMBL19969263 0.81 VSIR (0.47) SRCZAP70VSIRCD274
SCHEMBL19969098 0.81 VSIR (0.47) SRCZAP70VSIRCD274
SCHEMBL19969055 0.81 VSIR (0.47) SRCZAP70VSIRCD274
SCHEMBL24086186 0.81 VSIR (0.47) SRCZAP70VSIRCD274
SCHEMBL21738382 0.80 CD274 (0.58) SRCZAP70BMP1VSIRCD274
SCHEMBL21168248 0.77 VSIR (0.39) SRCBMP1VSIRCD274
SCHEMBL24668840 0.76 VSIR (0.39) VSIRCD274
SCHEMBL21168278 0.74 VSIR (0.38) SRCBMP1VSIRCD274

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-3363790-B1 1,2,4-OXADIAZOLE DERIVATIVES AS IMMUNOMODULATORS AURIGENE DISCOVERY TECH LTD (IN) 2020-02-19 EP disclosed
EP-3041827-B1 1,2,4-OXADIAZOLE DERIVATIVES AS IMMUNOMODULATORS AURIGENE DISCOVERY TECH LTD (IN) 2018-04-18 EP disclosed