SCHEMBL21279567

SCHEMBL21279567

CSNc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CCC(CN)C3)c(C)cn2n1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.34
PIM1 P11309 1/20 0.34
CDK2 P24941 1/20 0.34
FLT4 P35916 1/20 0.34
CSNK2A1 P68400 1/20 0.34
PRKCD Q05655 1/20 0.34
PAK1 Q13153 1/20 0.34
MAPKAPK3 Q16644 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
IRAK1 P51617 1/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32

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
SCHEMBL22788725 0.96 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL19447355 0.90 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL21279833 0.90 IRAK4 (0.34) IRAK4PIM1CDK2FLT4CSNK2A1
SCHEMBL2738059 0.90 IRAK4 (0.34) IRAK4PIM1CDK2FLT4CSNK2A1
SCHEMBL15317071 0.90 IRAK4 (0.34) IRAK4PIM1CDK2FLT4CSNK2A1
SCHEMBL22788699 0.89 HRH4 (0.34) HCRTR1HCRTR2
SCHEMBL19447449 0.87 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL2738155 0.86 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL22788702 0.85 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL22788726 0.84 CCKBR (0.35) HCRTR1HCRTR2

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-2838900-B1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-08-21 EP disclosed