SCHEMBL19908262

SCHEMBL19908262

CC1(C)CN(Cc2cc(F)ccc2F)c2cc(-c3ccc(C(=O)N4CCCC4)cc3)cnc2N1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 9/20 0.54
RIPK1 Q13546 3/20 0.44
NTRK1 P04629 5/20 0.42
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL1601642 0.93 ALK (0.51) ALKRIPK1NTRK1
SCHEMBL1601014 0.86 ALK (0.77) ALK
SCHEMBL1601012 0.86 ALK (0.77) ALK
SCHEMBL19908474 0.84 ALK (0.54) ALKRIPK1NTRK1ALDH1A1HTT
SCHEMBL3824477 0.81 ALK (0.47) ALKNTRK1ROCK2
SCHEMBL1601026 0.79 ALK (0.70) ALKNTRK1
SCHEMBL1600425 0.78 NTRK1 (0.49) ALKRIPK1NTRK1ALDH1A1HTT
SCHEMBL1601003 0.77 ALK (0.74) ALKNTRK1ALDH1A1
SCHEMBL1601696 0.77 ALK (0.65) ALKNTRK1
SCHEMBL1601371 0.77 ALK (0.43) ALKRIPK1NTRK1ROCK2

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-2091951-B1 PYRIDO[2,3-B]PYRAZINE AND [1,8]-NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2018-02-28 EP disclosed