SCHEMBL4872209

SCHEMBL4872209

COc1ccc(Cn2nc(I)c3c(Oc4cc(Cl)c(N)cc4F)ccnc32)cc1.COc1ccc(Cn2nc(NC3CCN(C)CC3)c3c(Oc4cc(Cl)c(N)cc4F)ccnc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.38
BCL6 P41182 1/20 0.34
EHMT2 Q96KQ7 5/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
EHMT1 Q9H9B1 1/20 0.32
DNMT3A Q9Y6K1 1/20 0.32
MCHR1 Q99705 2/20 0.32
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
KCNH2 Q12809 1/20 0.31
EGFR P00533 1/20 0.31
KDM1A O60341 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31
SSTR4 P31391 1/20 0.31
AOC3 Q16853 1/20 0.31

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
SCHEMBL3112384 0.96 JAK2 (0.40) JAK2BCL6EHMT2MEN1KMT2A
SCHEMBL3104627 0.87 NPBWR1 (0.34) MEN1KMT2AMCHR1
SCHEMBL3112556 0.86 JAK2 (0.41) JAK2BCL6EHMT2MEN1KMT2A
SCHEMBL3105707 0.80 MEN1 (0.40) JAK2EHMT2MEN1KMT2ADNMT3A
SCHEMBL3109363 0.80 AXL (0.42) JAK2EHMT2MEN1KMT2ADNMT3A
SCHEMBL3108855 0.79 AXL (0.41) MEN1KMT2ATLR7GPR6
SCHEMBL3104814 0.79 AXL (0.42) JAK2EHMT2MEN1KMT2ADNMT3A
SCHEMBL3111443 0.79 AXL (0.40) JAK2EHMT2MEN1KMT2ADNMT3A
SCHEMBL3104585 0.79 JAK2 (0.39) JAK2MEN1KMT2AMCHR1ACHE
SCHEMBL3106761 0.78 AOC3 (0.37) JAK2MEN1KMT2AAOC3GPR6

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-2001880-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2008-12-17 EP disclosed
WO-2007103308-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-09-13 WO disclosed