SCHEMBL17721529

SCHEMBL17721529

CC(C)N1CCC(CNc2nc(-c3ccc(Cl)c(Cl)c3)nc(C(Cl)(Cl)Cl)n2)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ VCP P55072 3/20 0.35
▸ ROCK2 O75116 2/20 0.34
▸ PIM1 P11309 2/20 0.34
▸ HRH3 Q9Y5N1 3/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ CACNA1I Q9P0X4 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ PTGS2 P35354 1/20 0.32

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
SCHEMBL16928277 0.89 HRH4 (0.41) VCPKCNH2CACNA1IHRH4
SCHEMBL17721541 0.89 KDM4E (0.41) KDM4EVCPROCK2PIM1HRH3
SCHEMBL17721540 0.87 CYP11B2 (0.43) KDM4EVCPROCK2PIM1
SCHEMBL17721610 0.87 IDH1 (0.46) VCPROCK2PIM1HRH3F10
SCHEMBL16927959 0.87 CAMK2D (0.38) KDM4EVCPROCK2PIM1KCNH2
SCHEMBL19873433 0.87 KCNH2 (0.39) KDM4EVCPROCK2PIM1HRH3
SCHEMBL17721550 0.87 ROCK2 (0.35) KDM4EVCPROCK2PIM1HRH3
SCHEMBL17721565 0.87 VCP (0.39) KDM4EVCPROCK2PIM1
SCHEMBL17721555 0.87 F10 (0.41) ROCK2F10
SCHEMBL17721578 0.86 VCP (0.40) KDM4EVCPROCK2PIM1HRH3

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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