SCHEMBL16976931

SCHEMBL16976931

Cc1nnc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)o1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 15/20 0.53
▸ PDPK1 O15530 4/20 0.53
▸ TNIK Q9UKE5 1/20 0.52

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
SCHEMBL14377086 0.84 PDPK1 (0.53) ALKPDPK1TNIK
SCHEMBL15842457 0.83 ALK (0.56) ALKPDPK1
SCHEMBL14377786 0.82 ALK (0.51) ALKPDPK1
SCHEMBL14377085 0.81 ALK (0.56) ALKPDPK1TNIK
SCHEMBL15257742 0.81 PDPK1 (0.53) ALKPDPK1TNIK
SCHEMBL14378119 0.81 ALK (0.46) ALKPDPK1TNIK
SCHEMBL15253790 0.81 ALK (0.53) ALKPDPK1TNIK
SCHEMBL14377081 0.81 ALK (0.51) ALKPDPK1
SCHEMBL9888186 0.81 ALK (0.63) ALKPDPK1
SCHEMBL15253612 0.81 ALK (0.57) ALKPDPK1

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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