SCHEMBL6852771

SCHEMBL6852771

COc1cccc(-c2cnc3[nH]ccc3n2)c1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 12/20 0.72
TNIK Q9UKE5 1/20 0.57
RIPK1 Q13546 1/20 0.54
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
TOP1 P11387 1/20 0.48
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
PRKDC P78527 1/20 0.46
ATR Q13535 1/20 0.46

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
SCHEMBL13458067 0.80 DYRK1A (0.61) PDGFRBPDGFRATOP1
SCHEMBL857188 0.79 CDK8 (0.66) TNIKPDGFRBPDGFRA
SCHEMBL15542823 0.79 MAPK1 (0.70) MAPK1RIPK1PDGFRBPDGFRA
SCHEMBL12605504 0.79 MAPK1 (1.00) MAPK1RIPK1PDGFRB
SCHEMBL2275680 0.78 MAPK1 (0.64) MAPK1RIPK1ALOX5APFEN1
SCHEMBL18136855 0.78 MAPK1 (0.64) MAPK1RIPK1ALOX5APFEN1ATR
SCHEMBL28507590 0.77 MAPK1 (0.85) MAPK1TNIKRIPK1PDGFRBPDGFRA
SCHEMBL27930912 0.75 MAPK1 (0.64) MAPK1RIPK1PRKDCATR
SCHEMBL19243796 0.74 DYRK1A (0.50) PDGFRBPDGFRATOP1PRKDCATR
SCHEMBL28348529 0.73 MAPK1 (0.61) MAPK1RIPK1

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
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP claimed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO claimed