SCHEMBL20004119

SCHEMBL20004119

C/N=C\c1ccc2c3c([nH]c2c1)C(C)(C)c1cc(OCCC2CCN(C4COC4)CC2)ccc1C3=O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.65
KDR P35968 3/20 0.54
ABL1 P00519 1/20 0.54
INSR P06213 1/20 0.54
IGF1R P08069 1/20 0.54
MET P08581 1/20 0.54
SRC P12931 1/20 0.54
FGFR2 P21802 1/20 0.54
KIT P10721 1/20 0.50

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
SCHEMBL21443121 0.93 ALK (0.75) ALKKDRABL1INSRIGF1R
SCHEMBL7812343 0.88 ALK (0.69) ALKKDRABL1INSRIGF1R
SCHEMBL897828 0.88 ALK (0.72) ALKKDRABL1INSRIGF1R
SCHEMBL897024 0.85 ALK (0.87) ALKKDRABL1INSRIGF1R
SCHEMBL1755790 0.80 ALK (0.80) ALKKDRABL1INSRIGF1R
SCHEMBL897827 0.80 ALK (0.80) ALKKDRABL1INSRIGF1R
SCHEMBL20004478 0.80 ALK (0.56) ALK
SCHEMBL17636142 0.79 ALK (0.79) ALKKDRABL1INSRIGF1R
SCHEMBL897567 0.79 ALK (1.00) ALKKDRABL1INSRIGF1R
SCHEMBL20004556 0.78 ALK (0.66) ALKKDRIGF1RSRC

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