SCHEMBL27689887

SCHEMBL27689887

CC(Nc1ncc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)c1ccc(F)cc1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 19/20 0.81
IGF1R P08069 3/20 0.45
JAK2 O60674 1/20 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
SCHEMBL4696821 1.00 NTRK1 (0.81) NTRK1IGF1RJAK2
SCHEMBL4696858 1.00 NTRK1 (0.81) NTRK1IGF1RJAK2
SCHEMBL3772425 0.89 NTRK1 (1.00) NTRK1JAK2
SCHEMBL3812515 0.89 NTRK1 (1.00) NTRK1JAK2
SCHEMBL3779322 0.88 NTRK1 (1.00) NTRK1JAK2
SCHEMBL3705689 0.88 NTRK1 (0.68) NTRK1
SCHEMBL27709595 0.88 NTRK1 (0.68) NTRK1
SCHEMBL57380 0.87 NTRK1 (0.62) NTRK1IGF1RJAK2
SCHEMBL4750903 0.86 NTRK1 (0.79) NTRK1JAK2
SCHEMBL56800 0.86 NTRK1 (0.79) 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
CN-101119988-A Chemical compound ASTRAZENECA AB (SE) 2008-02-06 CN disclosed