SCHEMBL12530700

SCHEMBL12530700

CCCC(N=O)(c1cccc(F)c1)c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)nc(N)n1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 20/20 0.64

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
SCHEMBL1913434 0.88 PDPK1 (0.66) PDPK1
SCHEMBL12530414 0.84 PDPK1 (0.65) PDPK1
SCHEMBL1913414 0.84 PDPK1 (0.61) PDPK1
SCHEMBL1913530 0.83 PDPK1 (0.73) PDPK1
SCHEMBL1913556 0.81 PDPK1 (0.70) PDPK1
SCHEMBL12530668 0.79 PDPK1 (0.67) PDPK1
SCHEMBL1913630 0.79 PDPK1 (0.64) PDPK1
SCHEMBL1913597 0.79 PDPK1 (0.64) PDPK1
SCHEMBL1913534 0.79 PDPK1 (0.64) PDPK1
SCHEMBL1913484 0.78 PDPK1 (0.65) 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
WO-2011076316-A1 PYRROLOPYRIDINYL-PYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-06-30 — — WO disclosed
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