SCHEMBL16465451

SCHEMBL16465451

NC(N)c1ncc2[nH]c(Cc3ccccc3)nc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
PKM P14618 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PNP P00491 1/20 0.44
TSHR P16473 1/20 0.43
HPGDS O60760 2/20 0.40
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ERBB2 P04626 2/20 0.39
AOC3 Q16853 1/20 0.39
RIPK1 Q13546 1/20 0.39
EGFR P00533 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL1034656 0.82 GAA (0.51) GAAPKMMAPTKDM4ETDP1
SCHEMBL28387335 0.81 GAA (0.50) GAAPKMMAPTKDM4ETDP1
SCHEMBL28390747 0.81 GAA (0.50) GAAPKMMAPTKDM4ETDP1
SCHEMBL27886361 0.81 GAA (0.53) GAAPKMMAPTKDM4ETDP1
SCHEMBL28430240 0.80 GAA (0.49) GAAPKMMAPTKDM4ETDP1
SCHEMBL16463217 0.80 GAA (0.49) GAAPKMMAPTKDM4ETDP1
SCHEMBL27678532 0.79 GAA (0.51) GAAPKMMAPTKDM4ETDP1
SCHEMBL434619 0.75 GAA (0.53) GAAPKMMAPTKDM4ETDP1
SCHEMBL16463218 0.74 GAA (0.42) GAAPKMMAPTKDM4ETDP1
SCHEMBL28324772 0.74 RIPK1 (0.53) GAAPKMMAPTKDM4ETDP1

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-2014056333-A9 IMMUNE RECEPTOR MODIFIER CONJUGATE AND PREPARATION METHOD AND USE THEREOF, COUPLING PRECURSOR FOR PREPARING SAME, AND COMPOUND FOR SYNTHESIZING COUPLING PRECURSOR 深圳大学 2015-04-30 WO disclosed
WO-2014056333-A1 IMMUNE RECEPTOR MODIFIER CONJUGATE AND PREPARATION METHOD AND USE THEREOF, COUPLING PRECURSOR FOR PREPARING SAME, AND COMPOUND FOR SYNTHESIZING COUPLING PRECURSOR 深圳大学 (CN) 2014-04-17 WO disclosed