SCHEMBL4694696

SCHEMBL4694696

C[C@H](Nc1ccc(N)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.50
IGF1R P08069 8/20 0.49
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
ULK1 O75385 1/20 0.45
PAK1 Q13153 3/20 0.45
PAK3 O75914 2/20 0.45
PAK2 Q13177 2/20 0.45

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
SCHEMBL4696486 0.84 NTRK1 (0.70) NTRK1IGF1RJAK2JAK3PAK1
SCHEMBL22535788 0.84 PAK1 (0.48) NTRK1IGF1RJAK2JAK3PAK1
SCHEMBL4696400 0.83 NTRK1 (0.46) NTRK1IGF1RJAK2JAK3ULK1
SCHEMBL4694197 0.82 JAK2 (0.38) NTRK1IGF1RJAK2JAK3
SCHEMBL22535638 0.82 NTRK1 (0.51) NTRK1IGF1RJAK2JAK3PAK1
SCHEMBL22535573 0.81 PAK1 (0.51) NTRK1IGF1RJAK2JAK3PAK1
SCHEMBL22535327 0.81 PAK1 (0.48) NTRK1IGF1RJAK2JAK3PAK1
SCHEMBL2634646 0.80 NTRK1 (0.72) NTRK1IGF1RJAK2JAK3
SCHEMBL4070121 0.79 IGF1R (0.78) NTRK1IGF1R
SCHEMBL22535808 0.79 NTRK1 (0.55) NTRK1IGF1RJAK2PAK1PAK3

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-1853588-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-18 EP disclosed