SCHEMBL21443224

SCHEMBL21443224

CCC1(C)c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.62
KIT P10721 2/20 0.54
KDR P35968 2/20 0.54

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
SCHEMBL897993 0.91 ALK (0.74) ALKKITKDR
SCHEMBL31250784 0.81 ALK (0.76) ALKKDR
SCHEMBL897299 0.80 ALK (0.81) ALK
SCHEMBL896919 0.79 ALK (0.68) ALKKITKDR
SCHEMBL896920 0.79 ALK (0.68) ALKKITKDR
SCHEMBL17627247 0.79 ALK (0.81) ALKKITKDR
SCHEMBL1755929 0.79 ALK (0.59) ALKKITKDR
SCHEMBL897868 0.79 ALK (0.69) ALKKDR
SCHEMBL897238 0.78 ALK (0.80) ALK
SCHEMBL10283675 0.78 ALK (0.71) ALKKITKDR

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-3345903-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2019-10-09 EP disclosed