SCHEMBL21202174

SCHEMBL21202174

COc1nc(-c2cccc3c2OCCO3)ccc1Nc1cccc(CNCCc2cnn(C(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRAS P01112 1/20 0.49
KRAS P01116 1/20 0.49
CD274 Q9NZQ7 16/20 0.37
PDCD1 Q15116 9/20 0.37
PDCD1LG2 Q9BQ51 7/20 0.33
PIK3CA P42336 1/20 0.32
PIK3CG P48736 1/20 0.32
ALK Q9UM73 1/20 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
SCHEMBL21198035 0.95 HRAS (0.51) HRASKRASCD274PDCD1PDCD1LG2
SCHEMBL21207202 0.88 HRAS (0.50) HRASKRASCD274PDCD1LG2
SCHEMBL30222583 0.88 HRAS (0.50) HRASKRASCD274PDCD1LG2
SCHEMBL21207018 0.88 HRAS (0.58) HRASKRASCD274PDCD1PDCD1LG2
SCHEMBL30222551 0.88 HRAS (0.58) HRASKRASCD274PDCD1PDCD1LG2
SCHEMBL21202173 0.87 HRAS (0.48) HRASKRASCD274PDCD1PIK3CA
SCHEMBL21201481 0.82 HRAS (0.57) HRASKRASCD274PDCD1PDCD1LG2
SCHEMBL21207197 0.80 HRAS (0.53) HRASKRASCD274PDCD1LG2
SCHEMBL30222389 0.80 HRAS (0.53) HRASKRASCD274PDCD1LG2
SCHEMBL29066259 0.78 HRAS (0.62) HRASKRASCD274PDCD1PDCD1LG2

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-3743421-A1 COMPOUNDS Oxford University Innovation Limited (GB) 2020-12-02 EP claimed
WO-2019145718-A1 COMPOUNDS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-08-01 WO claimed