SCHEMBL8107168

SCHEMBL8107168

Cc1cccc(-c2c[nH]c3ncnc(N)c23)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 9/20 0.62
STK4 Q13043 3/20 0.62
STK3 Q13188 3/20 0.62
PIK3CD O00329 1/20 0.54
PIK3CA P42336 1/20 0.54
PIK3CB P42338 1/20 0.54
PIK3CG P48736 1/20 0.54
PRKDC P78527 1/20 0.54
JAK3 P52333 2/20 0.54
MAP4K4 O95819 2/20 0.49
JAK2 O60674 1/20 0.48
RIPK2 O43353 1/20 0.47
SRC P12931 3/20 0.47
ABL1 P00519 1/20 0.47
PRKD3 O94806 1/20 0.46
PAK4 O96013 1/20 0.46
NTRK1 P04629 1/20 0.46
PRKACA P17612 1/20 0.46
LTK P29376 1/20 0.46
MAP2K2 P36507 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
SCHEMBL4353306 0.83 LRRK2 (0.62) LRRK2STK4STK3JAK3MAP4K4
SCHEMBL12438584 0.83 LRRK2 (0.55) LRRK2STK4STK3PIK3CDPIK3CA
SCHEMBL4350720 0.83 STK4 (0.68) LRRK2STK4STK3MAP4K4SRC
SCHEMBL8114068 0.83 ADK (0.49) LRRK2STK4STK3
SCHEMBL7013879 0.82 LRRK2 (0.65) LRRK2STK4STK3PIK3CDPIK3CA
SCHEMBL1896766 0.82 STK3 (0.58) LRRK2STK4STK3PIK3CDPIK3CA
SCHEMBL7021288 0.82 LRRK2 (0.63) LRRK2STK4STK3PIK3CDPIK3CA
SCHEMBL8112985 0.80 CCNT1 (0.48) LRRK2STK4STK3PIK3CDPIK3CA
SCHEMBL19226297 0.78 KDR (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL6639433 0.78 LRRK2 (0.81) LRRK2STK4STK3CDK8MAP2K1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6051577-A TYROSINE INHIBITORS; BONE DISORDERS NOVARTIS AG (CH) 2000-04-18 US disclosed