SCHEMBL3130134

SCHEMBL3130134

Fc1ccc(Cn2cnc3ccc(Nc4cc(C5CC5)[nH]n4)nc32)cc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NUAK1 O60285 1/20 0.75
NTRK1 P04629 9/20 0.49
IGF1R P08069 1/20 0.43
PAK1 Q13153 1/20 0.43
AKT1 P31749 1/20 0.43
TGFBR1 P36897 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
STK4 Q13043 1/20 0.43
STK3 Q13188 1/20 0.43
BMPR2 Q13873 1/20 0.43
STK26 Q9P289 1/20 0.43
STK24 Q9Y6E0 1/20 0.43

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
SCHEMBL3127355 0.87 NUAK1 (0.73) NUAK1NTRK1IGF1R
SCHEMBL3127453 0.87 NUAK1 (0.84) NUAK1NTRK1IGF1R
SCHEMBL3136977 0.86 NUAK1 (1.00) NUAK1NTRK1IGF1R
SCHEMBL3136840 0.82 NUAK1 (0.54) NUAK1NTRK1IGF1R
SCHEMBL3137646 0.79 NTRK1 (0.57) NUAK1NTRK1
SCHEMBL3136390 0.79 NTRK1 (0.57) NUAK1NTRK1
SCHEMBL27710919 0.79 NUAK1 (0.51) NUAK1NTRK1IGF1RPAK1
SCHEMBL3136376 0.79 NTRK1 (0.57) NUAK1NTRK1
SCHEMBL3132279 0.79 NTRK1 (0.50) NUAK1NTRK1
SCHEMBL3132518 0.79 NUAK1 (0.51) NUAK1NTRK1IGF1R

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
EP-1853602-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-07-14 EP disclosed