SCHEMBL27427296

SCHEMBL27427296

N#Cc1c(N)ccnc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.46
PRKACG P22612 2/20 0.46
PRKACB P22694 2/20 0.46
NOS3 P29474 3/20 0.37
NOS2 P35228 3/20 0.37
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
LRRK2 Q5S007 2/20 0.35
NCF1 P14598 2/20 0.34
F12 P00748 1/20 0.34
PLAU P00749 1/20 0.34
NOS1 P29475 1/20 0.34

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
SCHEMBL22531427 0.83 PRKACA (0.47) PRKACAPRKACGPRKACBKDM4EMEN1
SCHEMBL27176187 0.80 PRKACA (0.45) PRKACAPRKACGPRKACBKDM4EMEN1
SCHEMBL15741185 0.78 LRRK2 (0.40) PRKACAPRKACGPRKACBKDM4EMEN1
SCHEMBL22980341 0.78 PRKACA (0.38) PRKACAPRKACGPRKACBNOS3NOS2
SCHEMBL565899 0.78 HTT (0.41) PRKACAPRKACGPRKACBNOS3NOS2
SCHEMBL29589050 0.78 PRKACA (0.44) PRKACAPRKACGPRKACBNOS3NOS2
SCHEMBL7912645 0.78 PRKACA (0.38) PRKACAPRKACGPRKACBNOS3NOS2
SCHEMBL17212756 0.78 PRKACA (0.44) PRKACAPRKACGPRKACBKDM4EMEN1
SCHEMBL1261198 0.78 NOS2 (0.54) PRKACAPRKACGPRKACBNOS3NOS2
SCHEMBL31622333 0.78 LRRK2 (0.40) PRKACAPRKACGPRKACBKDM4EMEN1

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
CN-1235992-A Water-soluble fiber-reactive dyes, processes for their preparation and their use HOECHST AG (DE) 1999-11-24 CN disclosed
CN-1108277-A Water-soluble fibre-reactive dyes, their preparation and their use HOECHST AG (DE) 1995-09-13 CN disclosed