SCHEMBL4699080

SCHEMBL4699080

C[C@H](Nc1ccc2ncn(-c3cc(C4CC4)[nH]n3)c2c1)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.52
PDE1C Q14123 7/20 0.42
LCK P06239 6/20 0.39
MAPK1 P28482 1/20 0.37
JAK2 O60674 1/20 0.36
IDH1 O75874 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
SCHEMBL4696570 0.83 NTRK1 (0.75) NTRK1MAPK1JAK2
SCHEMBL57014 0.82 NTRK1 (0.55) NTRK1LCKJAK2
SCHEMBL4694092 0.75 NTRK1 (0.48) NTRK1
SCHEMBL4696400 0.72 NTRK1 (0.46) NTRK1PDE1CJAK2
SCHEMBL4697195 0.71 NTRK1 (0.47) NTRK1MAPK1
SCHEMBL56396 0.69 NTRK1 (0.53) NTRK1JAK2
SCHEMBL57840 0.69 NTRK1 (0.59) NTRK1MAPK1JAK2
SCHEMBL3766966 0.69 NTRK1 (1.00) NTRK1JAK2
SCHEMBL4696446 0.69 NTRK1 (0.49) NTRK1JAK2
SCHEMBL22535327 0.68 PAK1 (0.48) 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