SCHEMBL18601616

SCHEMBL18601616

CC(C)Cc1c(N)nc(N)nc1N1C[C@H]2CN(C)C[C@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.40
NUDT1 P36639 1/20 0.31
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL1774338 1.00 HRH4 (0.40) HRH4NUDT1KCNH2HRH3
SCHEMBL18601613 0.87 HRH4 (0.41) HRH4NUDT1KCNH2HRH3
SCHEMBL1773647 0.87 HRH4 (0.41) HRH4NUDT1KCNH2HRH3
SCHEMBL1774078 0.85 NUDT1 (0.41) HRH4NUDT1KCNH2HRH3
SCHEMBL18601615 0.85 NUDT1 (0.41) HRH4NUDT1KCNH2HRH3
SCHEMBL1774183 0.82 HRH4 (0.55) HRH4KCNH2HRH3
SCHEMBL605001 0.82 HRH4 (0.47) HRH4KCNH2HRH3
SCHEMBL18601610 0.82 HRH4 (0.39) HRH4NUDT1HRH3
SCHEMBL18601598 0.82 HRH4 (0.41) HRH4NUDT1
SCHEMBL1774801 0.82 HRH4 (0.39) HRH4NUDT1HRH3

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-1966162-B1 PYRIMIDINE DERIVATIVES ZIARCO PHARMA LTD (GB) 2017-03-15 EP disclosed