SCHEMBL16976924

SCHEMBL16976924

Cc1ccc(CNc2nnc(-c3c[nH]c4ncc(-c5cnn(C)c5)cc34)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 14/20 0.51
▸ CDC7 O00311 5/20 0.48
▸ CCNE1 P24864 5/20 0.48
▸ CDK2 P24941 5/20 0.48
▸ DBF4 Q9UBU7 5/20 0.48
▸ QPCT Q16769 1/20 0.46

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
SCHEMBL14335980 0.92 ALK (0.62) ALKCDC7CCNE1CDK2DBF4
SCHEMBL14378024 0.92 ALK (0.61) ALKCDC7CCNE1CDK2DBF4
SCHEMBL14377770 0.91 PIM1 (0.50) ALKCDC7CCNE1CDK2DBF4
SCHEMBL14377793 0.87 FLT1 (0.49) ALKCDC7CCNE1CDK2DBF4
SCHEMBL14335342 0.87 CDC7 (0.65) ALKCDC7CCNE1CDK2DBF4
SCHEMBL14377091 0.87 CDC7 (0.66) ALKCDC7CCNE1CDK2DBF4
SCHEMBL14377086 0.86 PDPK1 (0.53) ALK
SCHEMBL14377093 0.83 ALK (0.66) ALKCDC7CCNE1CDK2DBF4
SCHEMBL15843199 0.83 ALK (0.53) ALKCDC7CCNE1CDK2DBF4
SCHEMBL14377081 0.83 ALK (0.51) 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-2723736-B1 7-Azaindole derivatives suitable for the treatment of cancers MERCK PATENT GMBH (DE) 2015-08-05 — — EP disclosed
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