SCHEMBL4419619

SCHEMBL4419619

CN(C(=O)O)C1CN(c2cc(C3C[C@H]4C=C[C@@H]3C4)nc(N)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.41
HRH4 Q9H3N8 12/20 0.36
AURKA O14965 1/20 0.35
PDPK1 O15530 1/20 0.35
AURKB Q96GD4 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
SCHEMBL3709033 0.75 HRH4 (0.52) HRH3HRH4
SCHEMBL1773838 0.75 LMNA (0.51) HRH3AURKAPDPK1AURKB
SCHEMBL6510068 0.73 HRH4 (0.55) HRH3HRH4AURKAPDPK1AURKB
SCHEMBL1990283 0.73 HRH3 (0.48) HRH3HRH4AURKAPDPK1AURKB
SCHEMBL4420312 0.73 HRH3 (0.57) HRH3HRH4AURKAPDPK1AURKB
SCHEMBL14574680 0.72 HRH3 (0.56) HRH3HRH4AURKAPDPK1AURKB
SCHEMBL1775397 0.70 HRH4 (0.54) HRH3HRH4
SCHEMBL23931281 0.70 PDPK1 (0.43) HRH3HRH4AURKAPDPK1AURKB
SCHEMBL3717204 0.69 HRH4 (0.52) HRH3HRH4
SCHEMBL3717198 0.69 HRH4 (0.52) HRH3HRH4

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
WO-2009068512-A1 2 -AMINO-PYRIMIDINE DERIVATIVES AS HISTAMINE H4 ANTAGONISTS PALAU PHARMA, S. A. (ES) 2009-06-04 WO disclosed