SCHEMBL20004695

SCHEMBL20004695

C/N=C\c1ccc2c3c([nH]c2c1)C(C)(C)c1cc(N2CCC(O)CC2)c(Br)cc1C3=O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.59
EML4 Q9HC35 1/20 0.46
KDR P35968 2/20 0.45
KIT P10721 1/20 0.45

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
SCHEMBL7811393 0.90 ALK (0.61) ALKEML4KDRKIT
SCHEMBL24676750 0.85 ALK (0.74) ALKEML4KDR
SCHEMBL897687 0.83 ALK (0.84) ALKEML4KDRKIT
SCHEMBL21443254 0.79 ALK (0.73) ALKEML4KDR
SCHEMBL21443256 0.79 ALK (0.73) ALKEML4KDR
SCHEMBL7810161 0.79 ALK (0.68) ALKEML4KDR
SCHEMBL20004239 0.79 ALK (0.60) ALKKDRKIT
SCHEMBL7816274 0.78 ALK (0.59) ALKEML4KDRKIT
SCHEMBL28913325 0.78 ALK (0.59) ALKEML4KDRKIT
SCHEMBL20004124 0.78 ALK (0.56) ALKEML4KDRKIT

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