SCHEMBL17636152

SCHEMBL17636152

CN1CCC(Oc2cc3c(cc2N[SH](=O)=O)C(=O)c2c([nH]c4cc(C#N)ccc24)C3(C)C)CC1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.81
SRPK2 P78362 1/20 0.58
SRPK1 Q96SB4 1/20 0.58
EML4 Q9HC35 1/20 0.58
KDR P35968 2/20 0.53

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
SCHEMBL7809397 0.91 ALK (0.84) ALKSRPK2SRPK1EML4KDR
SCHEMBL20366560 0.91 ALK (0.84) ALKSRPK2SRPK1EML4KDR
SCHEMBL897211 0.90 ALK (1.00) ALKSRPK2SRPK1EML4KDR
SCHEMBL20004224 0.89 ALK (0.81) ALKSRPK2SRPK1EML4KDR
SCHEMBL1755785 0.88 ALK (0.85) ALKSRPK2SRPK1EML4KDR
SCHEMBL20004223 0.88 ALK (0.79) ALKSRPK2SRPK1EML4KDR
SCHEMBL17448457 0.88 ALK (0.79) ALKSRPK2SRPK1EML4KDR
SCHEMBL16775679 0.87 ALK (0.83) ALKSRPK2SRPK1EML4KDR
SCHEMBL897505 0.86 ALK (1.00) ALKSRPK2SRPK1EML4KDR
SCHEMBL20366557 0.86 ALK (0.76) ALKSRPK2SRPK1EML4KDR

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-2441753-B1 TETRACYCLIC COMPOUND CHUGAI PHARMACEUTICAL CO LTD (JP) 2016-03-30 EP disclosed