SCHEMBL19062669

SCHEMBL19062669

CCCC(CC=C(Br)Br)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 18/20 0.62
▸ JAK1 P23458 11/20 0.62
▸ HDAC6 Q9UBN7 8/20 0.52
▸ JAK3 P52333 7/20 0.52
▸ TYK2 P29597 6/20 0.52
▸ HDAC1 Q13547 6/20 0.52
▸ HDAC3 O15379 2/20 0.52
▸ HDAC2 Q92769 2/20 0.52
▸ HDAC10 Q969S8 2/20 0.52
▸ HDAC8 Q9BY41 2/20 0.52
▸ HDAC5 Q9UQL6 2/20 0.52
▸ NCOR2 Q9Y618 2/20 0.52
▸ HDAC9 Q9UKV0 1/20 0.52
▸ RET P07949 3/20 0.48
▸ ROCK1 Q13464 3/20 0.48
▸ DAPK3 O43293 2/20 0.48
▸ PAK4 O96013 2/20 0.48
▸ ABL1 P00519 2/20 0.48
▸ LTK P29376 2/20 0.48
▸ CSNK1A1 P48729 2/20 0.48

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
SCHEMBL101611 0.92 JAK2 (0.59) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL13695657 0.89 JAK2 (0.72) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL4115196 0.87 JAK2 (0.70) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL21975118 0.85 JAK2 (0.58) JAK2JAK1HDAC6JAK3TYK2
Trifluoroacetic Acid SCHEMBL102891 0.85 JAK2 (0.51) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL15389311 0.83 JAK2 (0.63) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL100431 0.82 JAK2 (0.89) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL171532 0.82 JAK2 (0.89) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL171524 0.82 JAK2 (0.89) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL15389175 0.82 JAK2 (0.59) JAK2JAK1HDAC6JAK3TYK2

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-3838903-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2021-06-23 — — EP disclosed
EP-3466953-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2019-04-10 — — EP disclosed
EP-3184526-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2017-06-28 — — EP disclosed
Send feedback