SCHEMBL20004282

SCHEMBL20004282

C/N=C/c1ccc2c3c([nH]c2c1F)C(C)(C)c1cc(N2CCN(C(C)C)CC2)ccc1C3=O

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.71
KIT P10721 2/20 0.42
KDR P35968 2/20 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
SCHEMBL21443155 1.00 ALK (0.71) ALKKITKDR
SCHEMBL897974 0.83 ALK (1.00) ALKKITKDR
SCHEMBL20366616 0.83 ALK (0.51) ALKKITKDR
SCHEMBL21443235 0.79 ALK (0.43) ALK
SCHEMBL20004774 0.79 ALK (0.43) ALK
SCHEMBL21443270 0.75 ALK (0.70) ALKKITKDR
SCHEMBL7805433 0.75 ALK (0.75) ALKKITKDR
SCHEMBL21766995 0.75 ALK (0.44) ALK
SCHEMBL896351 0.73 ALK (1.00) ALKKITKDR
SCHEMBL20366644 0.71 ALK (0.61) 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 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