SCHEMBL3136840

SCHEMBL3136840

Cc1nc2ccc(Nc3cc(C4CC4)[nH]n3)nc2n1Cc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NUAK1 O60285 1/20 0.54
NTRK1 P04629 9/20 0.48
CDK9 P50750 1/20 0.47
DYRK1A Q13627 1/20 0.47
DYRK2 Q92630 1/20 0.47
IGF1R P08069 3/20 0.44

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
SCHEMBL3130134 0.82 NUAK1 (0.75) NUAK1NTRK1IGF1R
SCHEMBL3124569 0.81 NTRK1 (0.55) NUAK1NTRK1IGF1R
SCHEMBL3124562 0.81 NTRK1 (0.55) NUAK1NTRK1IGF1R
SCHEMBL3137646 0.72 NTRK1 (0.57) NUAK1NTRK1
SCHEMBL3136376 0.72 NTRK1 (0.57) NUAK1NTRK1
SCHEMBL3133559 0.72 NTRK1 (0.55) NUAK1NTRK1
SCHEMBL3133566 0.72 NTRK1 (0.55) NUAK1NTRK1
SCHEMBL3136390 0.72 NTRK1 (0.57) NUAK1NTRK1
SCHEMBL27710919 0.72 NUAK1 (0.51) NUAK1NTRK1IGF1R
SCHEMBL2490728 0.72 NTRK1 (0.64) NUAK1NTRK1DYRK1ADYRK2IGF1R

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