SCHEMBL19447291

SCHEMBL19447291

COc1cccc(C(=O)N2CCCCC2c2cc3nc(N4CCC(N)C4)c(C)cn3n2)c1C

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.40
HCRTR2 O43614 14/20 0.40
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PDE2A O00408 1/20 0.36

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
SCHEMBL18023427 1.00 HCRTR1 (0.40) HCRTR1HCRTR2KDM4EHPGDHSP90AA1
SCHEMBL15072876 1.00 HCRTR1 (0.40) HCRTR1HCRTR2KDM4EHPGDHSP90AA1
SCHEMBL19447543 1.00 HCRTR1 (0.40) HCRTR1HCRTR2KDM4EHPGDHSP90AA1
SCHEMBL15073051 0.94 HCRTR1 (0.40) HCRTR1HCRTR2HSP90AA1HSP90AB1
SCHEMBL19447616 0.94 HCRTR1 (0.40) HCRTR1HCRTR2HSP90AA1HSP90AB1
SCHEMBL2737696 0.93 HSP90AA1 (0.38) HCRTR1HCRTR2HSP90AA1HSP90AB1
SCHEMBL2738268 0.93 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL15077257 0.92 HCRTR1 (0.40) HCRTR1HCRTR2KDM4EHPGDHSP90AA1
SCHEMBL18022007 0.92 HCRTR1 (0.40) HCRTR1HCRTR2KDM4EHPGDHSP90AA1
SCHEMBL15073067 0.92 HCRTR1 (0.37) HCRTR1HCRTR2HSP90AA1HSP90AB1

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