SCHEMBL18601596

SCHEMBL18601596

CC(C)c1c(N)nc(N)nc1N1CC2CCCNC2C1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.52
HTR3A P46098 1/20 0.36
ROCK1 Q13464 1/20 0.33
PARP1 P09874 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
SCHEMBL1780152 1.00 HRH4 (0.52) HRH4HTR3AROCK1PARP1
SCHEMBL607335 1.00 HRH4 (0.52) HRH4HTR3AROCK1PARP1
SCHEMBL18601617 0.84 HRH4 (0.55) HRH4HTR3AROCK1
SCHEMBL1773449 0.84 HRH4 (0.55) HRH4HTR3AROCK1
SCHEMBL1773353 0.83 HRH4 (0.40) HRH4
SCHEMBL1773720 0.83 HRH4 (0.40) HRH4
SCHEMBL18601614 0.82 HRH4 (0.49) HRH4HTR3AROCK1
SCHEMBL1774682 0.82 HRH4 (0.49) HRH4HTR3AROCK1
SCHEMBL1774471 0.81 HRH4 (0.48) HRH4HTR3AROCK1
SCHEMBL1774549 0.81 HRH4 (0.48) HRH4HTR3AROCK1

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