SCHEMBL4694035

SCHEMBL4694035

c1ccc(CCNc2ccc3ncn(-c4cc(C5CC5)[nH]n4)c3n2)nc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.54
IGF1R P08069 3/20 0.50
CYP1A2 P05177 1/20 0.40
APP P05067 3/20 0.39
OGA O60502 1/20 0.39
JAK2 O60674 1/20 0.36
PIM1 P11309 1/20 0.35
MKNK1 Q9BUB5 2/20 0.35
MKNK2 Q9HBH9 1/20 0.35

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
SCHEMBL4698219 0.77 NTRK1 (0.59) NTRK1IGF1RJAK2PIM1
SCHEMBL4694151 0.72 NTRK1 (0.55) NTRK1IGF1RJAK2PIM1
SCHEMBL4693854 0.71 NTRK1 (0.59) NTRK1JAK2
SCHEMBL3774702 0.70 NTRK1 (1.00) NTRK1JAK2
SCHEMBL11932347 0.67 IGF1R (1.00) NTRK1IGF1R
SCHEMBL4695215 0.65 NUAK1 (0.61) NTRK1IGF1R
SCHEMBL27513658 0.61 CYP1A2 (1.00) CYP1A2APPMKNK1
SCHEMBL27709595 0.61 NTRK1 (0.68) NTRK1
SCHEMBL12128975 0.61 CYP1A2 (0.59) CYP1A2APPPIM1MKNK1
SCHEMBL57147 0.61 NTRK1 (0.56) NTRK1JAK2

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