SCHEMBL20004706

SCHEMBL20004706

C#Cc1cc2c(cc1N1CCN(SC)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.79
KDR P35968 4/20 0.75
KIT P10721 2/20 0.75
SRPK2 P78362 1/20 0.63
SRPK1 Q96SB4 1/20 0.63
EML4 Q9HC35 1/20 0.63

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
SCHEMBL897100 0.88 ALK (0.79) ALKKDRKITSRPK2SRPK1
SCHEMBL896661 0.88 ALK (0.79) ALKKDRKITSRPK2SRPK1
SCHEMBL15061910 0.88 ALK (0.76) ALKKDRKITSRPK2SRPK1
SCHEMBL897286 0.88 ALK (1.00) ALKKDRKITSRPK2SRPK1
SCHEMBL897457 0.88 ALK (0.94) ALKKDRKIT
SCHEMBL15061938 0.88 ALK (0.78) ALKKDRKITSRPK2SRPK1
SCHEMBL20004252 0.86 ALK (0.73) ALKKDRKITEML4
SCHEMBL896881 0.86 ALK (1.00) ALKKDRKIT
SCHEMBL897297 0.85 ALK (1.00) ALKKDRKIT
SCHEMBL21613404 0.85 ALK (0.94) ALKKDRKITSRPK2SRPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3698788-A1 COMPOSITION COMPRISING TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-08-26 EP disclosed
EP-3613729-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-26 EP disclosed
EP-2606886-B1 COMPOSITION COMPRISING TETRACYCLIC COMPOUND CHUGAI PHARMACEUTICAL CO LTD (JP) 2020-01-08 EP disclosed
EP-3345903-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2019-10-09 EP disclosed
EP-3345903-A1 TETRACYCLIC COMPOUNDS Chugai Seiyaku Kabushiki Kaisha (JP) 2018-07-11 EP disclosed
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed