SCHEMBL20004809

SCHEMBL20004809

CCN1C(C)CN(c2ccc3c(c2)C(C)(C)c2[nH]c4cc(C#N)ccc4c2C3=O)CC1C

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.71
KIT P10721 2/20 0.65
KDR P35968 2/20 0.65

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
SCHEMBL898639 1.00 ALK (0.71) ALKKITKDR
SCHEMBL29962736 1.00 ALK (0.71) ALKKITKDR
SCHEMBL897355 0.88 ALK (0.76) ALKKITKDR
SCHEMBL20004538 0.88 ALK (0.76) ALKKITKDR
SCHEMBL20366533 0.88 ALK (0.76) ALKKITKDR
SCHEMBL29962657 0.86 ALK (0.76) ALKKITKDR
SCHEMBL897665 0.86 ALK (0.76) ALKKITKDR
SCHEMBL20366664 0.86 ALK (0.76) ALKKITKDR
SCHEMBL18245225 0.86 ALK (0.50) ALKKITKDR
SCHEMBL897257 0.84 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