SCHEMBL5014101

SCHEMBL5014101

c1cnc(-c2ccc3[nH]ncc3c2)c(-c2ccc3[nH]ncc3c2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.64
GSK3B P49841 6/20 0.61
DYRK3 O43781 2/20 0.61
CLK2 P49760 2/20 0.61
CDK5 Q00535 2/20 0.61
DYRK1A Q13627 2/20 0.61
CLK4 Q9HAZ1 2/20 0.61
CLK3 P49761 1/20 0.61
CDK5R1 Q15078 1/20 0.61
DYRK2 Q92630 1/20 0.61
DYRK1B Q9Y463 1/20 0.61
ROCK2 O75116 6/20 0.56
PIM1 P11309 5/20 0.56
AURKB Q96GD4 3/20 0.56
JAK2 O60674 1/20 0.56
PAK4 O96013 1/20 0.56
KDR P35968 1/20 0.56
CSNK2A1 P68400 2/20 0.54
ROCK1 Q13464 2/20 0.54
CDC7 O00311 1/20 0.54

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
SCHEMBL15640023 0.84 TGFBR1 (0.70) CLK1GSK3BDYRK3CLK2CDK5
SCHEMBL38663679 0.80 CLK1 (0.57) CLK1GSK3BDYRK3CLK2CDK5
SCHEMBL3799521 0.80 CLK1 (0.61) CLK1GSK3BDYRK3CLK2CDK5
SCHEMBL2029580 0.78 CLK1 (0.55) CLK1GSK3BDYRK3CLK2CDK5
SCHEMBL4791316 0.78 CLK1 (1.00) CLK1GSK3BDYRK3CLK2CDK5
SCHEMBL7572389 0.77 TGFBR1 (0.50) CLK1GSK3BDYRK3CLK2CDK5
SCHEMBL30627398 0.77 TGFBR1 (0.50) CLK1GSK3BDYRK3CLK2CDK5
SCHEMBL15639988 0.76 TGFBR1 (0.70) CLK1GSK3BDYRK3CLK2CDK5
SCHEMBL30805622 0.76 GSK3B (0.63) CLK1GSK3BDYRK3CLK2CDK5
SCHEMBL20658446 0.76 GSK3B (0.61) CLK1GSK3BDYRK3CLK2CDK5

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-1962853-A1 (INDAZOL-5-YL)-PYRAZINES AND (1,3-DIHYDRO-INDOL-2-ONE)- PYRAZINES FOR TREATING RHO KINASE-MEDIATED DISEASES AND CONDITIONS Alcon Research, Ltd. (US) 2008-09-03 EP disclosed
WO-2007076360-A8 (INDAZOL-5-YL)-PYRAZINES AND (1,3-DIHYDRO-INDOL-2-ONE)- PYRAZINES FOR TREATING RHO KINASE-MEDIATED DISEASES AND CONDITIONS ALCON MFG LTD (US) 2007-12-06 WO disclosed
WO-2007076360-A1 (INDAZOL-5-YL)-PYRAZINES AND (1,3-DIHYDRO-INDOL-2-ONE)- PYRAZINES FOR TREATING RHO KINASE-MEDIATED DISEASES AND CONDITIONS ALCON RESEARCH, LTD. (US) 2007-07-05 WO disclosed