SCHEMBL18334850

SCHEMBL18334850

COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(F)c(Nc2ccc(N3CCN(C(=O)O)CC3)cc2OC(F)F)n1

nearest known ligand 0.94

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 20/20 0.94

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
SCHEMBL16752927 0.97 ALK (1.00) ALK
SCHEMBL16752997 0.94 ALK (1.00) ALK
SCHEMBL18334855 0.94 ALK (0.93) ALK
SCHEMBL16753010 0.94 ALK (1.00) ALK
SCHEMBL16752873 0.92 ALK (1.00) ALK
SCHEMBL16753011 0.92 ALK (1.00) ALK
SCHEMBL18334847 0.92 ALK (0.94) ALK
SCHEMBL16752926 0.92 ALK (1.00) ALK
SCHEMBL16769538 0.91 ALK (1.00) ALK
SCHEMBL16752952 0.91 ALK (1.00) 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-2883875-B1 N2,N4-BIS(4-(PIPERAZINE-1-YL)PHENYL)PIRIMIDINE-2,4-DIAMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER KOREA RES INST CHEMICAL TECH (KR) 2016-12-28 — — EP claimed
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