SCHEMBL23912249

SCHEMBL23912249

CNC1CCN(c2nc(N)nc(N)c2C#N)C1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 19/20 0.60
HRH3 Q9Y5N1 6/20 0.50
KCNH2 Q12809 2/20 0.48
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47

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
SCHEMBL1773969 0.81 HRH4 (0.79) HRH4HRH3KCNH2HRH2HRH1
SCHEMBL1775087 0.78 HRH4 (0.63) HRH4HRH3KCNH2
SCHEMBL1776460 0.77 HRH4 (0.61) HRH4HRH3KCNH2HRH2HRH1
SCHEMBL1775613 0.77 HRH4 (0.61) HRH4HRH3KCNH2HRH2HRH1
SCHEMBL1774578 0.77 HRH4 (0.61) HRH4HRH3KCNH2HRH2HRH1
SCHEMBL1778272 0.77 HRH4 (0.61) HRH4HRH3KCNH2
SCHEMBL1774126 0.77 HRH4 (0.61) HRH4HRH3KCNH2HRH2HRH1
SCHEMBL18601597 0.77 HRH4 (0.61) HRH4HRH3KCNH2HRH2HRH1
Water SCHEMBL18789401 0.77 HRH4 (0.57) HRH4HRH3KCNH2HRH2HRH1
Water SCHEMBL28865640 0.77 HRH4 (0.57) HRH4HRH3KCNH2HRH2HRH1

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
EP-3160960-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-10-13 EP disclosed