SCHEMBL21118210

SCHEMBL21118210

C/C=C/C(=O)Nc1cccc(-c2cnc3[nH]ccc3c2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 19/20 0.68
CDK7 P50613 2/20 0.63
PLK4 O00444 1/20 0.63
DCLK1 O15075 1/20 0.63
ROCK2 O75116 1/20 0.63
PRKD3 O94806 1/20 0.63
MAP4K4 O95819 1/20 0.63
PAK4 O96013 1/20 0.63
CHEK2 O96017 1/20 0.63
INSR P06213 1/20 0.63
CDK1 P06493 1/20 0.63
FES P07332 1/20 0.63
ROS1 P08922 1/20 0.63
PDGFRB P09619 1/20 0.63
PDGFRA P16234 1/20 0.63
FER P16591 1/20 0.63
CDK2 P24941 1/20 0.63
MARK3 P27448 1/20 0.63
LTK P29376 1/20 0.63
FLT4 P35916 1/20 0.63

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
SCHEMBL22781605 0.86 CDK8 (0.71) CDK8CDK7PLK4DCLK1ROCK2
SCHEMBL16176428 0.86 CDK8 (0.71) CDK8CDK7PLK4DCLK1ROCK2
SCHEMBL857910 0.84 CDK8 (0.76) CDK8CDK7PLK4DCLK1ROCK2
SCHEMBL21417177 0.83 JAK3 (0.55) CDK8
SCHEMBL17938879 0.83 CDK8 (0.77) CDK8CDK7PLK4DCLK1ROCK2
SCHEMBL29883221 0.82 CDK8 (0.73) CDK8CDK7PLK4DCLK1ROCK2
SCHEMBL28882046 0.82 CDK8 (0.73) CDK8CDK7PLK4DCLK1ROCK2
SCHEMBL28882008 0.81 CDK8 (0.71) CDK8CDK7PLK4DCLK1ROCK2
SCHEMBL29883584 0.81 CDK8 (0.71) CDK8CDK7PLK4DCLK1ROCK2
SCHEMBL29883554 0.80 CDK8 (0.68) CDK8CDK7PLK4DCLK1ROCK2

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-3545956-B1 3,5-(UN)SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE, 1H-PYRAZOLO[3,4-B]PYRIDINE AND 5H- PYRROLO[2,3-B]PYRAZINE DUAL ITK AND JAK3 KINASE INHIBITORS ARRIEN PHARMACEUTICALS LLC (US) 2020-12-16 EP disclosed
EP-3545956-A1 3,5-(UN)SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE, 1H-PYRAZOLO[3,4-B]PYRIDINE AND 5H- PYRROLO[2,3-B]PYRAZINE DUAL ITK AND JAK3 KINASE INHIBITORS Arrien Pharmaceuticals LLC (US) 2019-10-02 EP disclosed
EP-2986300-B1 3,5-(UN)SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE, 1H-PYRAZOLO[3,4-B]PYRIDINE AND 5H-PYRROLO [2-,3-B]PYRAZINE DUAL ITK AND JAK3 KINASE INHIBITORS ARRIEN PHARMACEUTICALS LLC (US) 2019-06-26 EP disclosed