SCHEMBL17448461

SCHEMBL17448461

CC(=O)c1cc2c(cc1O)C(C)(C)c1oc3cc(C#N)ccc3c1C2=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 10/20 0.46
NTRK1 P04629 10/20 0.44
LCK P06239 10/20 0.44
KDR P35968 1/20 0.40
NTRK3 Q16288 1/20 0.40
NTRK2 Q16620 1/20 0.40

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
SCHEMBL897212 0.79 ALK (0.66) ALK
SCHEMBL897749 0.74 ALK (0.64) ALKNTRK1LCKKDRNTRK3
SCHEMBL17448478 0.74 ALK (0.70) ALK
SCHEMBL898634 0.71 ALK (0.78) ALK
SCHEMBL20004838 0.70 ALK (0.69) ALK
SCHEMBL20004840 0.70 ALK (0.69) ALK
SCHEMBL20366650 0.69 ALK (0.57) ALKNTRK1LCKKDRNTRK3
SCHEMBL17448462 0.69 ALK (0.79) ALK
SCHEMBL897492 0.69 ALK (0.73) ALKNTRK1LCKKDRNTRK3
SCHEMBL29962761 0.69 ALK (0.73) ALKNTRK1LCKKDRNTRK3

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-2975024-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-20 EP disclosed