SCHEMBL20749039

SCHEMBL20749039

C/N=C\c1ccc(NC(=O)N2Cc3c(C(N)=O)c(-c4ccc(F)c(Cl)c4)nn3C(CCC#N)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 18/20 0.61
CSNK1D P48730 15/20 0.60
BTK Q06187 2/20 0.37

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
SCHEMBL20748995 0.92 CSNK1E (0.59) CSNK1ECSNK1DBTK
SCHEMBL20748917 0.90 CSNK1E (0.60) CSNK1ECSNK1DBTK
SCHEMBL16722713 0.89 CSNK1E (0.75) CSNK1ECSNK1DBTK
SCHEMBL16711442 0.84 CSNK1E (0.60) CSNK1ECSNK1D
SCHEMBL16722631 0.83 CSNK1E (0.77) CSNK1ECSNK1DBTK
SCHEMBL16701068 0.83 CSNK1E (0.54) CSNK1ECSNK1DBTK
SCHEMBL16728780 0.83 CSNK1E (0.76) CSNK1ECSNK1DBTK
SCHEMBL16728847 0.82 CSNK1E (0.79) CSNK1ECSNK1DBTK
SCHEMBL16728613 0.82 CSNK1E (0.74) CSNK1ECSNK1DBTK
SCHEMBL16709062 0.80 CSNK1E (0.55) CSNK1ECSNK1DBTK

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-3068784-B1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-02-20 EP disclosed