SCHEMBL20219544

SCHEMBL20219544

C#CCOc1cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc1NCCC

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 1/20 0.33
▸ STK17B O94768 1/20 0.33
▸ STK17A Q9UEE5 1/20 0.33
▸ HTR2A P28223 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ SLC29A1 Q99808 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
SCHEMBL15469754 0.94 HTR2A (0.37) PGK1STK17BSTK17AHTR2ASYK
SCHEMBL20418680 0.80 HTR2A (0.34) STK17BSTK17AHTR2A
SCHEMBL13195019 0.76 TLR7 (0.46) —
SCHEMBL13195087 0.76 STK17B (0.41) STK17BSTK17ASLC29A1
SCHEMBL23472264 0.73 TLR8 (0.33) STK17BSTK17ASYK
SCHEMBL15469710 0.73 TLR8 (0.39) STK17BSTK17AKDM4EALDH1A1HPGD
SCHEMBL21769211 0.72 STK17B (0.32) STK17BSTK17A
SCHEMBL20219250 0.72 STK17B (0.40) STK17BSTK17ASLC29A1
SCHEMBL13195671 0.71 TLR7 (0.39) ALDH1A1HPGD
SCHEMBL15469708 0.71 TLR8 (0.44) KDM4EALDH1A1

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-3590928-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-06-09 — — EP disclosed
EP-3330257-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland UC (IE) 2018-06-06 — — EP disclosed
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