SCHEMBL16639092

SCHEMBL16639092

Cn1cc(-c2cnc3[nH]cc(-c4cc(C(O)(c5ccccc5)C(C)(F)F)nc(N)n4)c3c2)cn1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 20/20 0.79

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
SCHEMBL1913502 0.94 PDPK1 (0.77) PDPK1
SCHEMBL1913509 0.94 PDPK1 (0.77) PDPK1
SCHEMBL1913503 0.94 PDPK1 (0.77) PDPK1
SCHEMBL15227713 0.88 PDPK1 (1.00) PDPK1
SCHEMBL1913616 0.86 PDPK1 (0.80) PDPK1
SCHEMBL1913507 0.86 PDPK1 (0.80) PDPK1
SCHEMBL1913394 0.86 PDPK1 (0.80) PDPK1
SCHEMBL1913530 0.85 PDPK1 (0.73) PDPK1
SCHEMBL1913455 0.84 PDPK1 (0.74) PDPK1
SCHEMBL1913401 0.84 PDPK1 (0.71) PDPK1

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-2516431-B1 PYRROLOPYRIDINYL-PYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-04-15 — — EP disclosed
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