SCHEMBL3136977

SCHEMBL3136977

Fc1ccc(Cn2cnc3cc(Cl)c(Nc4cc(C5CC5)[nH]n4)nc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NUAK1 O60285 1/20 1.00
NTRK1 P04629 10/20 0.54
IGF1R P08069 6/20 0.47

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
SCHEMBL3127453 0.92 NUAK1 (0.84) NUAK1NTRK1IGF1R
SCHEMBL3130134 0.86 NUAK1 (0.75) NUAK1NTRK1IGF1R
SCHEMBL3127355 0.84 NUAK1 (0.73) NUAK1NTRK1IGF1R
SCHEMBL3124294 0.81 NUAK1 (0.68) NUAK1NTRK1IGF1R
SCHEMBL3124301 0.81 NUAK1 (0.68) NUAK1NTRK1IGF1R
SCHEMBL3127072 0.81 NUAK1 (0.68) NUAK1NTRK1IGF1R
SCHEMBL3127054 0.81 NUAK1 (0.68) NUAK1NTRK1IGF1R
SCHEMBL4695215 0.76 NUAK1 (0.61) NUAK1NTRK1IGF1R
SCHEMBL3129628 0.75 NUAK1 (0.60) NUAK1NTRK1IGF1R
SCHEMBL3424837 0.73 NTRK1 (0.60) 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