SCHEMBL17721578

SCHEMBL17721578

CC(C)N1CCC(CNc2nc(-c3ccc(F)cc3)nc(C(Cl)(Cl)Cl)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 3/20 0.40
▸ ACHE P22303 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ MAPK14 Q16539 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ PIM1 P11309 2/20 0.35
▸ IDH1 O75874 2/20 0.34
▸ IDH2 P48735 1/20 0.34
▸ TPH1 P17752 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 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
SCHEMBL17721550 0.91 ROCK2 (0.35) VCPHRH3KDM4EPIM1IDH1
SCHEMBL17721541 0.91 KDM4E (0.41) VCPACHEHRH3KDM4EPIM1
SCHEMBL17721565 0.91 VCP (0.39) VCPACHEKDM4EPIM1IDH1
SCHEMBL17721515 0.90 CCNE2 (0.40) VCPPIM1TPH1ROCK2
SCHEMBL16928320 0.90 ADORA3 (0.40) VCPPIM1GRIN2B
SCHEMBL17721514 0.89 GRIN2B (0.38) VCPKDM4EPIM1IDH1IDH2
SCHEMBL16928271 0.89 KDM4E (0.45) VCPACHEMAPK14KDM4EALDH1A1
SCHEMBL17721521 0.88 PIM1 (0.34) VCPHRH3KDM4EPIM1IDH1
SCHEMBL16928401 0.87 ACHE (0.41) VCPACHEMAPK14KDM4EALDH1A1
SCHEMBL17721494 0.86 PTGS2 (0.47) VCPTPH1PTGS2

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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