SCHEMBL21130908

SCHEMBL21130908

NC(=O)c1c(-c2ccc(Cl)c(Cl)c2)nn2c1CN(C(=O)NC1CCC1)CC2

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 20/20 0.73
CSNK1D P48730 11/20 0.73

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
SCHEMBL21130974 0.92 CSNK1E (0.75) CSNK1ECSNK1D
SCHEMBL21130978 0.91 CSNK1E (0.75) CSNK1ECSNK1D
SCHEMBL16711386 0.89 CSNK1E (0.62) CSNK1ECSNK1D
SCHEMBL17527271 0.89 CSNK1E (0.62) CSNK1ECSNK1D
SCHEMBL16711312 0.89 CSNK1E (0.62) CSNK1ECSNK1D
SCHEMBL16700161 0.89 CSNK1E (0.60) CSNK1ECSNK1D
SCHEMBL21130980 0.89 CSNK1E (0.81) CSNK1ECSNK1D
SCHEMBL16711256 0.88 CSNK1E (0.66) CSNK1ECSNK1D
SCHEMBL16711431 0.88 CSNK1E (0.64) CSNK1ECSNK1D
SCHEMBL16708914 0.88 CSNK1E (0.59) CSNK1ECSNK1D

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-3068785-B1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-06-26 EP disclosed