SCHEMBL21766937

SCHEMBL21766937

CC#Cc1cc2c(cc1N1CCNCC1)C1(CCOCC1)c1[nH]c3cc(/C=N/C)ccc3c1CC2=O

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.49
KIT P10721 2/20 0.31
KDR P35968 2/20 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
SCHEMBL20366607 0.89 ALK (0.62) ALKKITKDR
SCHEMBL25446834 0.77 ALK (0.61) ALKKITKDR
SCHEMBL24676341 0.77 ALK (0.54) ALKKITKDR
SCHEMBL7814003 0.77 ALK (0.67) ALKKITKDR
SCHEMBL898132 0.75 ALK (0.81) ALKKITKDR
SCHEMBL20366600 0.74 ALK (0.64) ALKKITKDR
SCHEMBL20004255 0.72 ALK (0.67) ALKKITKDR
SCHEMBL21443171 0.71 ALK (0.65) ALKKITKDR
SCHEMBL20366392 0.70 ALK (0.62) ALKKITKDR
SCHEMBL20366386 0.68 ALK (0.73) ALKKITKDR

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