SCHEMBL2928552

SCHEMBL2928552

CCCc1ccc(NCCN)nc1N

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 13/20 0.40
HRH3 Q9Y5N1 2/20 0.37
SYK P43405 1/20 0.37
KCNH2 Q12809 1/20 0.37
HRH4 Q9H3N8 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL1119602 0.77 SYK (0.37) HRH3SYKKCNH2HRH4SMN1; SMN2
SCHEMBL8002972 0.71 HRH3 (0.38) TLR8HRH3SYKKCNH2HRH4
Hydrochloric Acid SCHEMBL1961301 0.70 HRH3 (0.37) TLR8HRH3SYKKCNH2HRH4
SCHEMBL17827097 0.70 TKT (0.43) TLR8
SCHEMBL3599527 0.69 HRH3 (0.38) HRH3HRH4
SCHEMBL3613321 0.68 KDM4E (0.46) KCNH2SMN1; SMN2
SCHEMBL3608725 0.68 ALDH1A1 (0.40) SYKKCNH2
Hydrochloric Acid SCHEMBL1119496 0.68 HRH3 (0.37) HRH3HRH4
SCHEMBL15652833 0.68 KDM4C (0.48) HRH3SYKKCNH2HRH4
SCHEMBL1119535 0.67 HRH3 (0.41) HRH3SYKKCNH2HRH4

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
EP-2229392-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE AS GSK3BETA INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-22 EP disclosed
WO-2009074259-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-18 WO disclosed