SCHEMBL20004650

SCHEMBL20004650

COc1cc2c(cc1SCl)CCC(=O)C2(C)C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.38
KMT2A Q03164 1/20 0.32
PARP1 P09874 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL20366552 0.81 ALK (0.34) ALKKMT2APARP1ALDH1A1MAPK1
SCHEMBL897525 0.81 ALK (0.43) ALKALDH1A1MAPK1
SCHEMBL20004608 0.80 ALK (0.33) ALKKMT2APARP1ALDH1A1
SCHEMBL20004206 0.79 ALK (0.38) ALKKMT2APARP1ALDH1A1MAPK1
SCHEMBL897012 0.78 HTR2A (0.45) ALK
SCHEMBL20061137 0.78 S100B (0.38) ALKKMT2APARP1ALDH1A1MAPK1
SCHEMBL897888 0.77 TAAR1 (0.39) ALKKMT2APARP1ALDH1A1MAPK1
SCHEMBL897378 0.76 ALK (0.43) ALKKMT2AALDH1A1
SCHEMBL7805174 0.75 ALK (0.36) ALKKMT2APARP1
SCHEMBL20366497 0.75 ALK (0.36) ALKKMT2APARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3613729-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-26 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