SCHEMBL3375416

SCHEMBL3375416

c1cc(-c2cnn([C]3CCCC3)c2)c2cc[nH]c2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.67
AURKB Q96GD4 3/20 0.66
AURKA O14965 2/20 0.66
INCENP Q9NQS7 2/20 0.66
TPX2 Q9ULW0 2/20 0.66
JAK2 O60674 5/20 0.50
NUDT1 P36639 4/20 0.50
JAK3 P52333 3/20 0.50
IKBKB O14920 2/20 0.50
CHUK O15111 2/20 0.50
DAPK3 O43293 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
PAK4 O96013 1/20 0.50
CSF1R P07333 1/20 0.50
RET P07949 1/20 0.50
IGF1R P08069 1/20 0.50
FGFR1 P11362 1/20 0.50
PRKACA P17612 1/20 0.50
FLT1 P17948 1/20 0.50

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
SCHEMBL1504377 0.82 GRM4 (0.45) GRM4AURKBAURKAINCENPTPX2
SCHEMBL100305 0.81 GRM4 (1.00) GRM4AURKBAURKAINCENPTPX2
SCHEMBL1718255 0.80 AURKB (1.00) GRM4AURKBAURKAINCENPTPX2
SCHEMBL3377808 0.80 JAK2 (0.50) AURKBAURKAJAK2JAK3IKBKB
SCHEMBL3376129 0.79 JAK2 (0.49) AURKBAURKAJAK2JAK3IKBKB
SCHEMBL6123302 0.79 GRM4 (0.77) GRM4AURKBAURKAINCENPTPX2
SCHEMBL29540575 0.78 GRM4 (0.68) GRM4AURKBAURKAINCENPTPX2
SCHEMBL29540920 0.78 GRM4 (0.72) GRM4AURKBAURKAINCENPTPX2
SCHEMBL100436 0.78 GRM4 (0.68) GRM4AURKBAURKAINCENPTPX2
SCHEMBL29540678 0.78 GRM4 (0.68) GRM4AURKBAURKAINCENPTPX2

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-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-2288610-B1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE HOLDINGS CORP (US) 2016-08-31 EP disclosed
WO-2013173506-A2 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 WO disclosed
WO-2010039939-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2010-04-08 WO disclosed