SCHEMBL19447489

SCHEMBL19447489

Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc(F)c3Cl)cc2nc1N1CCC(C#N)C1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.35
HCRTR2 O43614 11/20 0.35
JAK2 O60674 3/20 0.35
TYK2 P29597 3/20 0.35
GRM5 P41594 3/20 0.34

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
SCHEMBL19447486 0.90 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL15077207 0.90 HCRTR1 (0.37) HCRTR1HCRTR2GRM5
SCHEMBL15073052 0.89 HCRTR1 (0.37) HCRTR1HCRTR2GRM5
SCHEMBL19447524 0.89 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL15077068 0.89 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL15072899 0.89 HCRTR1 (0.35) HCRTR1HCRTR2JAK2TYK2GRM5
SCHEMBL19447330 0.88 GRM5 (0.37) HCRTR1HCRTR2GRM5
SCHEMBL19447381 0.87 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL19447333 0.86 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL19447619 0.86 HCRTR1 (0.37) 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-2794611-B1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES INC (US) 2017-10-11 EP disclosed