SCHEMBL16728621

SCHEMBL16728621

CC(C)(C)OC(=O)N1Cc2c(C(=O)N=NN)c(-c3ccc(F)c(Cl)c3)nn2C2(COC2)C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 15/20 0.36
▸ CSNK1D P48730 12/20 0.35
▸ RORC P51449 2/20 0.32
▸ PARP1 P09874 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 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
SCHEMBL16709111 0.90 CSNK1E (0.44) CSNK1ECSNK1D
SCHEMBL16709114 0.81 CSNK1E (0.44) CSNK1ECSNK1D
SCHEMBL16728881 0.81 CSNK1E (0.44) CSNK1ECSNK1D
SCHEMBL16728764 0.81 CSNK1E (0.51) CSNK1ECSNK1DPARP1
SCHEMBL16709049 0.80 CSNK1E (0.44) CSNK1ECSNK1D
SCHEMBL16728861 0.80 CSNK1E (0.56) CSNK1ECSNK1D
SCHEMBL16728678 0.79 CSNK1E (0.44) CSNK1ECSNK1DRORC
SCHEMBL16728682 0.78 CSNK1E (0.43) CSNK1ECSNK1DRORC
SCHEMBL16699428 0.77 CSNK1E (0.46) CSNK1ECSNK1D
SCHEMBL16711454 0.77 CSNK1E (0.58) 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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