SCHEMBL19188029

SCHEMBL19188029

Cc1ccc(-c2ccc3[nH]nc(C)c3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.57
MKNK1 Q9BUB5 1/20 0.54
MAP2K4 P45985 6/20 0.50
MAPK1 P28482 4/20 0.50
MAPKAPK3 Q16644 4/20 0.50
MAPK6 Q16659 4/20 0.50
MAPKAPK2 P49137 3/20 0.50
MAPKAPK5 Q8IW41 3/20 0.50
LRRK2 Q5S007 1/20 0.45
PDPK1 O15530 2/20 0.45
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
CDC7 O00311 1/20 0.43
PLK4 O00444 1/20 0.43
DAPK3 O43293 1/20 0.43
DYRK3 O43781 1/20 0.43
ROCK2 O75116 1/20 0.43

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
SCHEMBL27968550 0.87 MKNK1 (0.71) JAK2MKNK1MAP2K4PRKAG1PRKAA1
SCHEMBL12907439 0.86 MAPK1 (0.59) JAK2MKNK1MAP2K4MAPK1MAPKAPK3
SCHEMBL14397096 0.85 PDPK1 (0.53) JAK2MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL12222 0.84 MAP2K4 (0.57) JAK2MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL29769133 0.84 MAP2K4 (0.57) JAK2MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL12907187 0.84 JAK2 (0.72) JAK2PDPK1CDC7PLK4DAPK3
SCHEMBL22339348 0.83 JAK2 (0.51) JAK2MKNK1PDPK1PRKAG1PRKAA1
SCHEMBL22513706 0.83 JAK2 (0.51) JAK2MKNK1PDPK1ADORA2AADORA2B
SCHEMBL22513720 0.82 JAK2 (0.50) JAK2MKNK1PDPK1PRKAG1PRKAA1
SCHEMBL12907433 0.78 MKNK1 (0.51) JAK2MKNK1MAP2K4MAPK1MAPKAPK3

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
WO-2019070943-A1 SMALL MOLECULE INHIBITION OF TRANSCRIPTION FACTOR SALL4 AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-11 WO disclosed
EP-2758398-B1 SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL]-2-AZABICYCLO [2.2.1]HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed