SCHEMBL16735601

SCHEMBL16735601

O=C(c1cc2ncccc2cc1O)N1CCCc2cc(F)ccc21

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 19/20 0.62
PDK2 Q15119 19/20 0.62
PDK3 Q15120 19/20 0.62
PDK4 Q16654 19/20 0.62
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL16735572 0.92 PDK1 (0.51) PDK1PDK2PDK3PDK4
SCHEMBL16735666 0.87 LMNA (0.53) PDK1PDK2PDK3PDK4
SCHEMBL16735668 0.82 PDK1 (0.51) PDK1PDK2PDK3PDK4
SCHEMBL2143989 0.82 PDK1 (0.59) PDK1PDK2PDK3PDK4HDAC1
SCHEMBL16735623 0.82 SCD5 (0.44) PDK1PDK2PDK3PDK4
SCHEMBL16735646 0.81 PDK1 (0.53) PDK1PDK2PDK3PDK4
SCHEMBL16735684 0.81 GPBAR1 (0.51) PDK1PDK2PDK3PDK4
SCHEMBL16735643 0.81 LMNA (0.53) PDK1PDK2PDK3PDK4
SCHEMBL16735640 0.78 HTR2C (0.51) PDK1PDK2PDK3PDK4
SCHEMBL16735633 0.78 PDK1 (0.41) PDK1PDK2PDK3PDK4

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-2519505-B1 TERTIARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES AND USES THEREOF POLICHEM SA (LU) 2015-05-27 EP claimed