SCHEMBL17721555

SCHEMBL17721555

COc1ccc(-c2nc(NCC3CCN(C(C)C)CC3)nc(C(Cl)(Cl)Cl)n2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 1/20 0.41
▸ JAK2 O60674 2/20 0.41
▸ JAK1 P23458 2/20 0.41
▸ TLR9 Q9NR96 6/20 0.41
▸ TLR8 Q9NR97 6/20 0.41
▸ TLR7 Q9NYK1 6/20 0.41
▸ WHR1 P49842 3/20 0.40
▸ ACHE P22303 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ EHMT2 Q96KQ7 2/20 0.38
▸ DNMT1 P26358 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ GAK O14976 1/20 0.37
▸ FYN P06241 1/20 0.37

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
SCHEMBL17721504 0.89 JAK1 (0.51) JAK2JAK1TLR9TLR8TLR7
SCHEMBL16928266 0.88 ACHE (0.45) JAK2JAK1ACHEBACE1MEN1
SCHEMBL17721502 0.87 VCP (0.47) F10JAK2JAK1WHR1MEN1
SCHEMBL17721529 0.87 KDM4E (0.35) F10ROCK2
SCHEMBL17721538 0.87 VCP (0.37) F10JAK2JAK1WHR1ACHE
SCHEMBL17721540 0.86 CYP11B2 (0.43) WHR1ROCK2
SCHEMBL17721550 0.85 ROCK2 (0.35) ROCK2
SCHEMBL17721565 0.85 VCP (0.39) ACHEROCK2
SCHEMBL17721541 0.85 KDM4E (0.41) F10ACHEMEN1KMT2AROCK2
SCHEMBL17721547 0.84 EHMT2 (0.40) F10JAK1WHR1ACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970153-B1 TRIAZINE COMPOUNDS AND COMPOSITIONS THEREOF AND METHODS FOR TREATING MALARIA AND CHEMOPROPHYLAXIS THE US SECRETARY OF THE ARMY ON BEHALF OF WALTER REED ARMY INSTITUTE OF RESEARCH (US) 2018-02-21 — — EP claimed
US-9334246-B2 Substituted triazines for malaria treatment and chemoprophylaxis THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY, ON BEHALF OF THE WALTER REED ARMY INSTITUTE OF RESEARCH (US) 2016-05-10 — — US claimed
EP-3351538-A1 TRIAZINE COMPOUNDS AND COMPOSITIONS THEREOF AND METHODS FOR TREATING MALARIA AND CHEMOPROPHYLAXIS The United States of America, as represented by The Secretary of The Army, on behalf of Walter Reed Army Institute of Research (US) 2018-07-25 — — EP disclosed
EP-2970153-B1 TRIAZINE COMPOUNDS AND COMPOSITIONS THEREOF AND METHODS FOR TREATING MALARIA AND CHEMOPROPHYLAXIS THE US SECRETARY OF THE ARMY ON BEHALF OF WALTER REED ARMY INSTITUTE OF RESEARCH (US) 2018-02-21 — — EP disclosed
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