SCHEMBL20004081

SCHEMBL20004081

C=C(/C(C#CC1CCCC1)=C\C1=C(C)C(C)(C)c2[nH]c3cc(C#N)ccc3c2C1=O)N1CCN(C2COC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.52
KDR P35968 6/20 0.51
KIT P10721 4/20 0.51
INSR P06213 2/20 0.51
ABL1 P00519 1/20 0.51
IGF1R P08069 1/20 0.51
MET P08581 1/20 0.51
SRC P12931 1/20 0.51
FGFR2 P21802 1/20 0.51

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
SCHEMBL20004720 0.85 ALK (0.53) ALKKDRINSR
SCHEMBL897524 0.72 ALK (0.94) ALKKDRKITINSR
SCHEMBL896850 0.69 ALK (1.00) ALKKDRKITINSR
SCHEMBL10283152 0.68 ALK (0.83) ALKKDRKITINSRABL1
SCHEMBL897652 0.68 ALK (0.79) ALKKDRKITINSRABL1
SCHEMBL896738 0.68 ALK (1.00) ALKKDRKITINSRABL1
SCHEMBL21443145 0.68 ALK (0.47) ALK
SCHEMBL897341 0.68 ALK (1.00) ALKKDRKITINSRABL1
SCHEMBL897307 0.68 ALK (1.00) ALKKDRKITINSRABL1
SCHEMBL897444 0.68 ALK (1.00) ALKKDRKITINSRABL1

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