SCHEMBL20004098

SCHEMBL20004098

C/N=C\c1ccc2c3c([nH]c2c1)C(C)(C)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(SN(C)C)cc1C3=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.46
EML4 Q9HC35 2/20 0.40
SRPK2 P78362 1/20 0.40
SRPK1 Q96SB4 1/20 0.40
KDR P35968 2/20 0.38
KIT P10721 1/20 0.38

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
SCHEMBL20004099 0.86 ALK (0.63) ALKEML4SRPK2SRPK1KDR
SCHEMBL25446835 0.77 ALK (0.58) ALK
SCHEMBL20366593 0.77 ALK (0.58) ALK
SCHEMBL20004738 0.76 ALK (0.75) ALKEML4SRPK2SRPK1KDR
SCHEMBL20004124 0.75 ALK (0.56) ALKEML4SRPK2SRPK1KDR
SCHEMBL7802442 0.75 ALK (0.58) ALKEML4SRPK2SRPK1KDR
SCHEMBL24676341 0.75 ALK (0.54) ALKKDRKIT
SCHEMBL20366581 0.74 ALK (0.54) ALKEML4SRPK2SRPK1KDR
SCHEMBL29940684 0.74 ALK (0.59) ALKEML4SRPK2SRPK1
SCHEMBL27087519 0.74 ALK (0.59) ALKEML4SRPK2SRPK1

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