SCHEMBL5664866

SCHEMBL5664866

CCN(CC)C(=O)C(NCc1ccc2nc(C(N)=O)ccc2c1)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 3/20 0.40
▸ MAP4K1 Q92918 3/20 0.40
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NOD2 Q9HC29 1/20 0.36
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ SCN9A Q15858 3/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ SCN7A Q01118 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL5664871 0.89 PLAU (0.38) LMNAPOLBTSHRRAB9AHSD17B10
SCHEMBL4985651 0.87 MEN1 (0.41) KLKB1MAP4K1MEN1KMT2ANOD2
SCHEMBL5664692 0.87 KLKB1 (0.38) KLKB1MAP4K1MEN1KMT2APOLB
SCHEMBL5669409 0.83 KLKB1 (0.39) KLKB1MAP4K1MEN1KMT2ANOD2
SCHEMBL5666297 0.82 KLKB1 (0.37) KLKB1MAP4K1MEN1KMT2ASLC6A2
SCHEMBL5664693 0.76 PLAU (0.40) POLB
SCHEMBL4985659 0.75 MEN1 (0.42) MEN1KMT2A
SCHEMBL5664741 0.73 RAB9A (0.36) KLKB1MAP4K1KCNH2SCN7APOLB
SCHEMBL5664394 0.73 MTTP (0.46) —
SCHEMBL5664400 0.73 MTTP (0.46) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716137-A1 SUBSTITUTED QUINOLINE COMPOUNDS Pfizer Products Incorporated (US) 2006-11-02 — — EP disclosed
WO-2005080373-A1 SUBSTITUTED QUINOLINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-09-01 — — WO disclosed
Send feedback