SCHEMBL16728764

SCHEMBL16728764

CC(C)(C)OC(=O)N1Cc2c(C(=O)N=NN)c(-c3ccc(F)c(Cl)c3)nn2CC12CC2

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 14/20 0.51
▸ CSNK1D P48730 11/20 0.51
▸ SSTR5 P35346 2/20 0.32
▸ TGFBR1 P36897 1/20 0.31
▸ TGFBR2 P37173 1/20 0.31
▸ RIPK2 O43353 1/20 0.31
▸ PARP1 P09874 1/20 0.31

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
SCHEMBL16728819 0.91 CSNK1D (0.41) CSNK1ECSNK1DRIPK2
SCHEMBL16711359 0.89 CSNK1E (0.63) CSNK1ECSNK1DRIPK2
SCHEMBL16728621 0.81 CSNK1E (0.36) CSNK1ECSNK1DPARP1
SCHEMBL16711360 0.77 CSNK1E (0.70) CSNK1ECSNK1D
SCHEMBL16728678 0.76 CSNK1E (0.44) CSNK1ECSNK1D
SCHEMBL16700104 0.76 CSNK1E (0.58) CSNK1ECSNK1D
SCHEMBL16700367 0.76 CSNK1E (0.69) CSNK1ECSNK1D
SCHEMBL16728629 0.75 CSNK1E (0.44) CSNK1ECSNK1D
SCHEMBL16728682 0.75 CSNK1E (0.43) CSNK1ECSNK1D
SCHEMBL16730744 0.75 CSNK1E (0.46) 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
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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