SCHEMBL16728819

SCHEMBL16728819

CCc1ccc(-c2nn3c(c2C(=O)N=NN)CN(C(=O)OC(C)(C)C)C2(CC2)C3)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 2/20 0.41
▸ CSNK1E P49674 2/20 0.41
▸ C5AR1 P21730 1/20 0.33
▸ CACNB4 O00305 1/20 0.32
▸ CACNA1A O00555 1/20 0.32
▸ CACNA1G O43497 1/20 0.32
▸ CACNG3 O60359 1/20 0.32
▸ CACNA1F O60840 1/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ CACNB3 P54284 1/20 0.32
▸ CACNA2D1 P54289 1/20 0.32
▸ CACNG7 P62955 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ CACNA1D Q01668 1/20 0.32
▸ CACNB1 Q02641 1/20 0.32
▸ CACNG1 Q06432 1/20 0.32
▸ CACNB2 Q08289 1/20 0.32
▸ CACNA1S Q13698 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ CACNA1E Q15878 1/20 0.32

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
SCHEMBL16728764 0.91 CSNK1E (0.51) CSNK1DCSNK1ERIPK2
SCHEMBL16711359 0.79 CSNK1E (0.63) CSNK1DCSNK1ERIPK2
SCHEMBL16730918 0.76 CSNK1E (0.58) CSNK1DCSNK1E
SCHEMBL16728629 0.75 CSNK1E (0.44) CSNK1DCSNK1E
SCHEMBL16730616 0.75 CSNK1E (0.56) CSNK1DCSNK1E
SCHEMBL16728558 0.71 CSNK1E (0.44) CSNK1DCSNK1E
SCHEMBL16728621 0.71 CSNK1E (0.36) CSNK1DCSNK1E
SCHEMBL16730913 0.71 CSNK1E (0.42) CSNK1DCSNK1ERIPK2ALDH1A1
SCHEMBL16730675 0.69 CSNK1E (0.51) CSNK1DCSNK1ERIPK2ALDH1A1
SCHEMBL16730609 0.69 RIPK2 (0.38) CSNK1DCSNK1ECACNB4CACNA1ACACNA1G

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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