SCHEMBL21781663

SCHEMBL21781663

O=CNc1cnc2ccccc2c1N1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.54
BCHE P06276 9/20 0.47

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
SCHEMBL15883613 0.79 BCHE (0.54) GRM5BCHE
SCHEMBL847028 0.77 BCHE (0.72) BCHE
SCHEMBL847712 0.77 BCHE (0.72) BCHE
SCHEMBL21158406 0.75 BCHE (0.50) GRM5BCHE
SCHEMBL18399575 0.75 BCHE (0.50) GRM5BCHE
SCHEMBL20368692 0.75 BCHE (0.50) GRM5BCHE
SCHEMBL21781670 0.72 ALDH1A1 (0.38) BCHE
SCHEMBL2706554 0.72 ERN1 (0.42)
SCHEMBL21781486 0.71 ALDH1A1 (0.37)
SCHEMBL19059694 0.70 BCHE (0.46) GRM5BCHE

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-2945939-B1 THIAZOLECARBOXAMIDES AND PYRIDINECARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE HOLDINGS CORP (US) 2020-03-04 EP disclosed