SCHEMBL674099

SCHEMBL674099

NC1CCN(c2ccncn2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.54
HRH3 Q9Y5N1 3/20 0.48
CYP2D6 P10635 1/20 0.47
DPP4 P27487 1/20 0.47
KCNH2 Q12809 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
GPR119 Q8TDV5 1/20 0.44
SORD Q00796 1/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
CDC42BPB Q9Y5S2 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
GRM1 Q13255 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCI P41743 1/20 0.41
MAP4K4 O95819 1/20 0.41

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
SCHEMBL18239360 1.00 HRH4 (0.54) HRH4HRH3CYP2D6DPP4KCNH2
Hydrochloric Acid SCHEMBL673161 0.98 HRH4 (0.52) HRH4HRH3CYP2D6DPP4KCNH2
Hydrochloric Acid SCHEMBL18228434 0.98 HRH4 (0.52) HRH4HRH3CYP2D6DPP4KCNH2
SCHEMBL13178239 0.90 MAP4K4 (0.51) HRH4CYP2D6DPP4KCNH2DPP8
SCHEMBL30503827 0.90 MAP4K4 (0.51) HRH4CYP2D6DPP4KCNH2DPP8
SCHEMBL1381114 0.90 HRH3 (0.58) HRH4HRH3CYP2D6DPP4KCNH2
Hydrochloric Acid SCHEMBL16684781 0.88 HRH3 (0.57) HRH4HRH3CYP2D6DPP4KCNH2
SCHEMBL24929586 0.80 GPR119 (0.47) CYP2D6DPP4KCNH2DPP8DPP9
SCHEMBL30775219 0.80 GPR119 (0.47) CYP2D6DPP4KCNH2DPP8DPP9
SCHEMBL23875356 0.80 GPR119 (0.44) HRH4CYP2D6DPP4KCNH2DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606051-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF Hutchison Medipharma Limited (CN) 2013-06-26 EP disclosed
WO-2012022265-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2012-02-23 WO disclosed
US-7332509-B2 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED (US) 2008-02-19 US disclosed
US-7332509-B2 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED (US) 2008-02-19 US disclosed
EP-1434485-B1 NICOTINIC ACID-HETEROCYCLYL-AMIDES AND ANALOGOUS PYRIMIDINE DERIVATIVES FOR USE AS PESTICIDES MERIAL LTD (US) 2007-05-16 EP disclosed