SCHEMBL20004606

SCHEMBL20004606

CC1CN(C2CCN(c3ccc4c(c3)C(C)(C)c3[nH]c5cc(C#N)ccc5c3C4=O)CC2)C[C@@H](C)O1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.80
KIT P10721 2/20 0.80
KDR P35968 2/20 0.80

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
SCHEMBL17627251 1.00 ALK (0.80) ALKKITKDR
SCHEMBL897516 1.00 ALK (0.80) ALKKITKDR
SCHEMBL897178 0.89 ALK (0.87) ALKKITKDR
SCHEMBL897222 0.89 ALK (1.00) ALKKITKDR
SCHEMBL897775 0.88 ALK (0.80) ALKKITKDR
SCHEMBL29962353 0.88 ALK (0.80) ALKKITKDR
Hydrochloric Acid SCHEMBL31236828 0.88 ALK (0.98) ALKKITKDR
SCHEMBL7809847 0.88 ALK (0.63) ALKKITKDR
SCHEMBL897475 0.88 ALK (0.87) ALKKITKDR
SCHEMBL897270 0.86 ALK (1.00) 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-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed