SCHEMBL20004582

SCHEMBL20004582

Cn1c2c(c3ccc(C#N)cc31)C(=O)c1ccc(OC3CCN([S+](C)[O-])CC3)cc1C2(C)C

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.60
ABL1 P00519 1/20 0.42
INSR P06213 1/20 0.42
IGF1R P08069 1/20 0.42
MET P08581 1/20 0.42
SRC P12931 1/20 0.42
FGFR2 P21802 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL20004584 0.89 ALK (0.62) ALK
SCHEMBL897509 0.88 ALK (0.61) ALK
SCHEMBL896748 0.87 ALK (0.59) ALKIGF1RSRCKDR
SCHEMBL10272633 0.84 ALK (0.75) ALKABL1INSRIGF1RMET
SCHEMBL897165 0.81 ALK (0.62) ALK
SCHEMBL10272274 0.76 ALK (0.59) ALK
SCHEMBL1703864 0.76 ALK (0.59) ALKABL1INSRIGF1RMET
SCHEMBL20366614 0.76 ALK (0.80) ALK
SCHEMBL1755740 0.76 ALK (0.64) ALK
SCHEMBL898172 0.75 ALK (0.77) ALK

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