SCHEMBL16728678

SCHEMBL16728678

CC(C)(C)OC(=O)N1Cc2c(C(=O)N=NN)c(-c3ccc(F)c(Cl)c3)nn2C(C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 10/20 0.44
▸ CSNK1D P48730 8/20 0.42
▸ RORC P51449 2/20 0.35
▸ BTK Q06187 5/20 0.35
▸ CACNB4 O00305 1/20 0.33
▸ CACNA1A O00555 1/20 0.33
▸ CACNA1G O43497 1/20 0.33
▸ CACNG3 O60359 1/20 0.33
▸ CACNA1F O60840 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ CACNB3 P54284 1/20 0.33
▸ CACNA2D1 P54289 1/20 0.33
▸ CACNG7 P62955 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ CACNA1D Q01668 1/20 0.33
▸ CACNB1 Q02641 1/20 0.33
▸ CACNG1 Q06432 1/20 0.33
▸ CACNB2 Q08289 1/20 0.33
▸ CACNA1S Q13698 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33

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
SCHEMBL16700074 0.89 CSNK1E (0.54) CSNK1ECSNK1DBTK
SCHEMBL16728682 0.89 CSNK1E (0.43) CSNK1ECSNK1DRORCBTKCACNB4
SCHEMBL16728683 0.84 CSNK1E (0.40) CSNK1ECSNK1DRORCBTKKAT6A
SCHEMBL16730609 0.82 RIPK2 (0.38) CSNK1ECSNK1DBTKCACNB4CACNA1A
SCHEMBL16709043 0.81 RIPK2 (0.49) CSNK1ECSNK1DBTK
SCHEMBL16699471 0.81 CSNK1E (0.55) CSNK1ECSNK1DBTK
SCHEMBL16709077 0.79 CSNK1E (0.67) CSNK1ECSNK1DBTK
SCHEMBL16728621 0.79 CSNK1E (0.36) CSNK1ECSNK1DRORC
SCHEMBL16711523 0.79 CSNK1E (0.60) CSNK1ECSNK1DBTK
SCHEMBL16709034 0.79 CSNK1E (0.59) 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
WO-2015073767-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-21 — — WO disclosed
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