SCHEMBL16728683

SCHEMBL16728683

CC(C)(C)OC(=O)N1Cc2c(C(=O)N=NN)c(-c3ccc(F)c(Cl)c3)nn2C(CN2CCOCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 5/20 0.40
▸ CSNK1D P48730 4/20 0.39
▸ THRB P10828 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TGFBR1 P36897 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ KAT8 Q9H7Z6 5/20 0.33
▸ KAT6A Q92794 3/20 0.33
▸ KAT5 Q92993 2/20 0.32
▸ BTK Q06187 2/20 0.32
▸ RORC P51449 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
SCHEMBL16709033 0.91 CSNK1E (0.48) CSNK1ECSNK1DTGFBR1BTK
SCHEMBL16728682 0.89 CSNK1E (0.43) CSNK1ECSNK1DKAT8KAT6AKAT5
SCHEMBL16728678 0.84 CSNK1E (0.44) CSNK1ECSNK1DKAT8KAT6ABTK
SCHEMBL16711376 0.80 CSNK1E (0.53) CSNK1ECSNK1D
SCHEMBL16700141 0.80 CSNK1E (0.45) CSNK1ECSNK1DTGFBR1BTK
SCHEMBL16711296 0.80 CSNK1E (0.53) CSNK1ECSNK1D
SCHEMBL16699338 0.79 CSNK1E (0.50) CSNK1ECSNK1DTGFBR1BTK
SCHEMBL16709028 0.79 CSNK1E (0.53) CSNK1ECSNK1DBTK
SCHEMBL16709026 0.79 CSNK1E (0.53) CSNK1ECSNK1DBTK
SCHEMBL16709061 0.79 CSNK1E (0.53) CSNK1ECSNK1DKAT8KAT6ABTK

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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