SCHEMBL9212932

SCHEMBL9212932

c1n[nH]c2c1Cc1[nH]ncc1-2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.55
LTK P29376 4/20 0.55
FLT3 P36888 3/20 0.55
DAPK3 O43293 3/20 0.55
MAP2K2 P36507 3/20 0.55
MAPK8 P45983 3/20 0.55
CSNK1A1 P48729 3/20 0.55
CDK8 P49336 3/20 0.55
CDK5 Q00535 3/20 0.55
MAP2K1 Q02750 3/20 0.55
PTK2 Q05397 3/20 0.55
ROCK1 Q13464 3/20 0.55
DYRK1A Q13627 3/20 0.55
CAMK1D Q8IU85 3/20 0.55
CLK4 Q9HAZ1 3/20 0.55
DYRK1B Q9Y463 3/20 0.55
AURKB Q96GD4 2/20 0.55
PLK4 O00444 2/20 0.55
PDGFRA P16234 2/20 0.55
MAPK9 P45984 2/20 0.55

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
SCHEMBL14123799 0.76
SCHEMBL15312301 0.72 LTK (0.72) PIM1LTKFLT3DAPK3MAP2K2
SCHEMBL2376041 0.71 MAPK8 (0.56) PIM1LTKFLT3DAPK3MAP2K2
SCHEMBL2920391 0.71 LTK (1.00) PIM1LTKFLT3DAPK3MAP2K2
SCHEMBL4814335 0.66 LTK (0.81) PIM1LTKFLT3DAPK3MAP2K2
Formic Acid SCHEMBL27996911 0.65
SCHEMBL4854096 0.65 LTK (0.55) PIM1LTKFLT3DAPK3MAP2K2
SCHEMBL4807902 0.65 LTK (0.55) PIM1LTKFLT3DAPK3MAP2K2
SCHEMBL1159880 0.63 LTK (0.72) PIM1LTKFLT3DAPK3MAP2K2
SCHEMBL5944129 0.62

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-0276833-B1 Dipyrazoles useful as bronchodilators MERRELL DOW PHARMA (US) 1995-02-15 EP disclosed
EP-0276833-A2 Dipyrazoles useful as bronchodilators MERRELL DOW PHARMACEUTICALS INC. (US) 1988-08-03 EP disclosed
US-4734430-A Dipyrazoles and their use as bronchodilators MERRELL DOW PHARMACEUTICALS INC. (US) 1988-03-29 US disclosed