SCHEMBL20004233

SCHEMBL20004233

CCN1CCC(Oc2cc3c(cc2SN(C)C)C(=O)c2c([nH]c4cc(C#N)ccc24)C3(C)C)CC1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.64
EML4 Q9HC35 2/20 0.58
KDR P35968 2/20 0.55
SRPK2 P78362 1/20 0.54
SRPK1 Q96SB4 1/20 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
SCHEMBL897751 0.87 ALK (0.66) ALKEML4KDR
SCHEMBL20366523 0.86 ALK (0.63) ALKEML4KDRSRPK2SRPK1
SCHEMBL20004159 0.81 ALK (0.58) ALKEML4KDRSRPK2SRPK1
SCHEMBL20004558 0.80 ALK (0.63) ALKEML4SRPK2SRPK1
SCHEMBL20366524 0.80 ALK (0.74) ALKEML4SRPK2SRPK1
SCHEMBL20004594 0.79 ALK (0.74) ALKEML4KDRSRPK2SRPK1
SCHEMBL16775679 0.79 ALK (0.83) ALKEML4KDRSRPK2SRPK1
SCHEMBL20366513 0.78 ALK (0.81) ALKKDR
SCHEMBL20004666 0.78 ALK (0.60) ALKEML4SRPK2SRPK1
SCHEMBL20004589 0.78 ALK (0.73) ALKEML4KDRSRPK2SRPK1

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