SCHEMBL20004758

SCHEMBL20004758

CC1(C)c2cc(N3CCN(C4CCC=CCC4)CC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.80
KDR P35968 3/20 0.80
KIT P10721 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
SCHEMBL897475 0.95 ALK (0.87) ALKKDRKIT
SCHEMBL897359 0.93 ALK (0.83) ALKKDRKIT
SCHEMBL897985 0.92 ALK (0.81) ALKKDRKIT
SCHEMBL29962399 0.92 ALK (0.81) ALKKDRKIT
SCHEMBL897178 0.90 ALK (0.87) ALKKDRKIT
SCHEMBL897307 0.89 ALK (1.00) ALKKDRKIT
SCHEMBL897664 0.88 ALK (1.00) ALKKDRKIT
SCHEMBL897222 0.88 ALK (1.00) ALKKDRKIT
Hydrochloric Acid SCHEMBL31236828 0.87 ALK (0.98) ALKKDRKIT
SCHEMBL897270 0.87 ALK (1.00) ALKKDRKIT

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