SCHEMBL13496004

SCHEMBL13496004

CNn1cnnc1C(N)=O

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
F2 P00734 1/20 0.30
CYP1A2 P05177 1/20 0.30
NNMT P40261 1/20 0.30

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
SCHEMBL20455579 0.74
SCHEMBL11745472 0.71 KMT2A (0.38) KMT2AGAAMAPTTSHRF2
SCHEMBL13496021 0.65 NNMT (0.33) TSHRNNMT
SCHEMBL11745910 0.65 F2 (0.40) KMT2AGAAMAPTTSHRF2
SCHEMBL14486988 0.63 BAZ2B (0.38) KMT2A
SCHEMBL13088423 0.59 LMNA (0.40) KMT2AMAPTTSHR
SCHEMBL28320261 0.56
SCHEMBL23576550 0.55 NNMT (0.42) NNMT
SCHEMBL14486993 0.55 ALDH1A1 (0.37) KMT2AGAAMAPTCYP1A2
SCHEMBL12272126 0.54

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-2010014930-A2 THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2010-02-04 WO disclosed