SCHEMBL16976914

SCHEMBL16976914

COc1cccc(CNc2nnc(-c3c[nH]c4ncc(C5=CN=C5)cc34)o2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 7/20 0.53
▸ CCNE1 P24864 7/20 0.53
▸ CDK2 P24941 7/20 0.53
▸ DBF4 Q9UBU7 7/20 0.53
▸ CLK1 P49759 2/20 0.46
▸ DYRK1A Q13627 2/20 0.46
▸ NTRK1 P04629 1/20 0.44
▸ KIT P10721 2/20 0.44
▸ NEK1 Q96PY6 1/20 0.42
▸ PIM1 P11309 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ FGFR1 P11362 1/20 0.40
▸ FGFR4 P22455 1/20 0.40

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
SCHEMBL7957150 0.87 CDC7 (0.54) CDC7CCNE1CDK2DBF4CLK1
SCHEMBL7955873 0.85 CDK2 (0.55) CDC7CCNE1CDK2DBF4CLK1
SCHEMBL1557178 0.82 CDC7 (0.74) CDC7CCNE1CDK2DBF4DYRK1A
SCHEMBL14377770 0.75 PIM1 (0.50) CDC7CCNE1CDK2DBF4PIM1
SCHEMBL14335342 0.73 CDC7 (0.65) CDC7CCNE1CDK2DBF4
SCHEMBL14378024 0.72 ALK (0.61) CDC7CCNE1CDK2DBF4
SCHEMBL7946423 0.69 CDC7 (1.00) CDC7CCNE1CDK2DBF4CLK1
SCHEMBL14377091 0.69 CDC7 (0.66) CDC7CCNE1CDK2DBF4
SCHEMBL14377766 0.69 RIPK1 (0.47) NTRK1KITNEK1
SCHEMBL12506950 0.69 CDC7 (0.74) CDC7CCNE1CDK2DBF4DYRK1A

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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