SCHEMBL20057096

SCHEMBL20057096

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

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 2/20 0.45
CD274 Q9NZQ7 1/20 0.45
BMP1 P13497 2/20 0.34
ZAP70 P43403 1/20 0.34

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
SCHEMBL20057341 1.00 VSIR (0.45) VSIRCD274BMP1ZAP70
SCHEMBL20057098 0.88 SRC (0.39) VSIRCD274BMP1ZAP70
SCHEMBL21738738 0.83 VSIR (0.43) VSIRCD274BMP1ZAP70
SCHEMBL20057106 0.82 VSIR (0.67) VSIRCD274BMP1
SCHEMBL21738417 0.82 VSIR (0.67) VSIRCD274BMP1
SCHEMBL20057381 0.80 VSIR (0.56) VSIRCD274BMP1
SCHEMBL20057110 0.79 VSIR (0.43) VSIRCD274BMP1ZAP70
SCHEMBL20057130 0.79 CD274 (0.72) VSIRCD274BMP1ZAP70
SCHEMBL20057132 0.79 CD274 (0.72) VSIRCD274BMP1ZAP70
SCHEMBL20170530 0.78 VSIR (0.34) VSIRCD274

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
EP-3363790-B1 1,2,4-OXADIAZOLE DERIVATIVES AS IMMUNOMODULATORS AURIGENE DISCOVERY TECH LTD (IN) 2020-02-19 EP disclosed
WO-2018073754-A1 DUAL INHIBITORS OF VISTA AND PD-1 PATHWAYS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-04-26 WO disclosed
EP-3041827-B1 1,2,4-OXADIAZOLE DERIVATIVES AS IMMUNOMODULATORS AURIGENE DISCOVERY TECH LTD (IN) 2018-04-18 EP disclosed