SCHEMBL17721585

SCHEMBL17721585

CN1CCC(CNc2nc(-c3cccc(C(F)(F)F)c3)nc(C(Cl)(Cl)Cl)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 5/20 0.46
▸ IDH2 P48735 2/20 0.42
▸ VCP P55072 1/20 0.42
▸ PIM1 P11309 8/20 0.41
▸ IDH1 O75874 2/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ KCNH2 Q12809 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ GAK O14976 1/20 0.38
▸ STK10 O94804 1/20 0.38
▸ YES1 P07947 1/20 0.38
▸ RET P07949 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ CSNK2A2 P19784 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38

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
SCHEMBL17721571 0.90 VCP (0.41) PIM2IDH2VCPPIM1IDH1
SCHEMBL16928285 0.87 VCP (0.46) PIM2VCPPIM1IDH1ADORA1
SCHEMBL16928071 0.86 VCP (0.41) VCPPOLB
SCHEMBL16928018 0.85 IDH2 (0.60) IDH2PIM1ADORA1ALDH1A1JAK2
SCHEMBL16928238 0.85 JAK1 (0.51) PIM2VCPPIM1ADORA1KCNH2
SCHEMBL16927962 0.84 VCP (0.41) VCP
SCHEMBL16928086 0.83 CYP11B2 (0.45) PIM2VCPPIM1KCNH2JAK2
SCHEMBL17721534 0.83 HDAC4 (0.40) IDH2VCPIDH1ALDH1A1JAK2
SCHEMBL16928277 0.82 HRH4 (0.41) VCPADORA1KCNH2JAK2JAK1
SCHEMBL16928271 0.82 KDM4E (0.45) IDH2VCPPIM1IDH1ALDH1A1

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 3 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
Send feedback