SCHEMBL7258161

SCHEMBL7258161

O=C(O)c1ccc(CNc2nc(N3CCCCC3)nc3cc(O)c(O)cc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 19/20 0.57
TCF7L2 Q9NQB0 19/20 0.57
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47

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
SCHEMBL7255659 0.86 CTNNB1 (0.72) CTNNB1TCF7L2PDE4APDE4BPDE4C
SCHEMBL7259546 0.78 KMT5A (0.59) CTNNB1TCF7L2
SCHEMBL7255656 0.77 HRH4 (0.64) CTNNB1TCF7L2PDE4APDE4BPDE4C
SCHEMBL3642575 0.76 CTNNB1 (0.68) CTNNB1TCF7L2PDE4APDE4BPDE4C
SCHEMBL3644763 0.76 PDE5A (0.65) CTNNB1TCF7L2PDE4APDE4BPDE4C
SCHEMBL7259303 0.75 KMT5A (0.55) CTNNB1TCF7L2
SCHEMBL2592377 0.74 PDE5A (0.77) CTNNB1TCF7L2PDE4APDE4BPDE4C
SCHEMBL3639211 0.74 PDE5A (0.77) CTNNB1TCF7L2PDE4APDE4BPDE4C
SCHEMBL3643545 0.73 CTNNB1 (0.66) CTNNB1TCF7L2
SCHEMBL4175982 0.73 CTNNB1 (1.00) CTNNB1TCF7L2

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-2003055866-A1 QUINAZOLINE AND QUINOLINE DERIVATIVE COMPOUNDS AS INHIBITORS OF PROLYLPEPTIDASE, INDUCERS OF APOPTOSIS AND CANCER TREATMENT AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-10 WO disclosed