SCHEMBL7259303

SCHEMBL7259303

COc1cc2nc(N3CCCCC3)nc(NCc3ccc(C(=O)OC(C)C)cc3)c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT5A Q9NQR1 13/20 0.55
CTNNB1 P35222 6/20 0.53
TCF7L2 Q9NQB0 6/20 0.53
CCR4 P51679 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
SCHEMBL7259546 0.92 KMT5A (0.59) KMT5ACTNNB1TCF7L2CCR4
SCHEMBL3779862 0.82 EHMT2 (0.68) KMT5ACTNNB1TCF7L2CCR4
SCHEMBL3640926 0.82 EHMT2 (0.67) KMT5A
Hydrochloric Acid SCHEMBL3637894 0.81 EHMT2 (0.67) KMT5ACTNNB1TCF7L2CCR4
SCHEMBL7255656 0.78 HRH4 (0.64) CTNNB1TCF7L2
SCHEMBL3642575 0.78 CTNNB1 (0.68) CTNNB1TCF7L2
SCHEMBL7258161 0.75 CTNNB1 (0.57) CTNNB1TCF7L2
SCHEMBL25363673 0.74 KMT5A (0.54) KMT5ACCR4
SCHEMBL3779698 0.74 WHR1 (0.67) KMT5ACCR4
Hydrochloric Acid SCHEMBL3639996 0.73 WHR1 (0.66) KMT5ACCR4

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