SCHEMBL3789575

SCHEMBL3789575

N#CCCn1nc2ccc(C(=O)NCc3cccnc3-c3ccc(F)cc3)cn2c1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
NAMPT P43490 5/20 0.40
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.37
RECQL P46063 1/20 0.36
MEN1 O00255 2/20 0.36
CSNK1D P48730 3/20 0.35
CSNK1E P49674 3/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL3789293 0.90 NAMPT (0.42) NAMPTKMT2AMAPTMEN1CSNK1D
SCHEMBL3794645 0.86 NAMPT (0.42) NAMPTKMT2AMAPTMEN1CSNK1D
SCHEMBL3797563 0.84 NAMPT (0.43) ALDH1A1NAMPTKMT2AMAPTMEN1
SCHEMBL3785444 0.77 NAMPT (0.44) NAMPTKMT2AMAPTMEN1LMNA
SCHEMBL13258013 0.77 DRD2 (0.38) NAMPTKMT2AMEN1
SCHEMBL3805799 0.73 DDR1 (0.41) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL13257863 0.72 AKT1 (0.37) NAMPTKMT2AMEN1
SCHEMBL3788876 0.72 RIPK1 (0.38)
SCHEMBL3790657 0.71 KMT2A (0.39) ALDH1A1KMT2AMAPTHTT
SCHEMBL3798917 0.71 EPHX2 (0.39)

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
WO-2010096722-A1 3-OXO-2, 3-DIHYDRO- [1,2, 4] TRIAZOLO [4, 3-A]PYRIDINES AS SOLUBLE EPOXIDE HYDROLASE (SEH) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 WO disclosed
WO-2010096722-A1 3-OXO-2, 3-DIHYDRO- [1,2, 4] TRIAZOLO [4, 3-A]PYRIDINES AS SOLUBLE EPOXIDE HYDROLASE (SEH) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 WO disclosed