SCHEMBL5252136

SCHEMBL5252136

Nc1cccc(C#Cc2c(N)ncnc2N)c1.Nc1ncnc(N)c1I

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.46
RET P07949 1/20 0.46
PIK3CA P42336 3/20 0.40
MTOR P42345 1/20 0.40
PDK1 Q15118 1/20 0.40
ADK P55263 2/20 0.39
ASIC3 Q9UHC3 1/20 0.38
MAP4K4 O95819 3/20 0.37
FFAR1 O14842 1/20 0.37
FLT3 P36888 1/20 0.36
ADRB2 P07550 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 0.34
PRKDC P78527 1/20 0.34
HCRTR1 O43613 1/20 0.34

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
SCHEMBL3583467 0.92 ABL1 (0.51) ABL1RETPIK3CAMTORPDK1
SCHEMBL17262961 0.82 ABL1 (0.46) ABL1RETPIK3CAMTORPDK1
SCHEMBL5251355 0.75 KDR (0.54) ABL1RETMAP4K4FLT3RAB9A
SCHEMBL4968126 0.74 CYP3A4 (0.58) ABL1RETPIK3CAMTORPDK1
SCHEMBL26886953 0.73 ASIC3 (0.44) ABL1RETPIK3CAMTORPDK1
SCHEMBL3572562 0.72 MAP4K4 (0.53) ABL1RETPIK3CAMTORPDK1
SCHEMBL4717142 0.71 APP (0.58) RETPIK3CAMTORPDK1ADK
SCHEMBL9611202 0.70 FFAR1 (0.59) PIK3CAMTORPDK1ASIC3FFAR1
SCHEMBL3581835 0.69 PIK3CA (0.44) ABL1RETPIK3CAMTORPDK1
SCHEMBL4719248 0.69 PTPN11 (0.50) ABL1RETMAP4K4FLT3RAB9A

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-1737462-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060969-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed