SCHEMBL19062267

SCHEMBL19062267

N#CC1=CCC=CC(c2ccn(-c3ccnc4[nH]ccc34)n2)=C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.37
NUDT1 P36639 5/20 0.35
AKT2 P31751 2/20 0.35
JAK3 P52333 1/20 0.34
PBK Q96KB5 2/20 0.33
GSK3B P49841 1/20 0.32
ATR Q13535 2/20 0.31
ATRIP Q8WXE1 2/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
INCENP Q9NQS7 1/20 0.31
TPX2 Q9ULW0 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
SCHEMBL18599530 0.80 PRKCI (0.38) PRKCINUDT1AKT2JAK3PBK
SCHEMBL99492 0.73 PRKCI (0.43) PRKCINUDT1AKT2JAK3PBK
SCHEMBL18602143 0.72 PRKCI (0.49) PRKCINUDT1AKT2JAK3PBK
SCHEMBL10179493 0.72 PRKCI (0.42) PRKCINUDT1AKT2JAK3PBK
SCHEMBL22930858 0.71 PRKCI (0.39) PRKCINUDT1AKT2JAK3PBK
SCHEMBL100939 0.69 JAK2 (0.52) PRKCINUDT1AKT2JAK3AURKB
SCHEMBL29540619 0.69 JAK2 (0.52) PRKCINUDT1AKT2JAK3AURKB
Trifluoroacetic Acid SCHEMBL4081895 0.68 JAK3 (0.37) PRKCIAKT2JAK3PBKAURKA
SCHEMBL102456 0.67 PRKCI (0.46) PRKCINUDT1AKT2JAK3PBK
SCHEMBL29540558 0.67 MAPK14 (0.48) PRKCINUDT1AKT2JAK3PBK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 EP disclosed
EP-3838903-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2021-06-23 EP disclosed
EP-3466953-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2021-02-03 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