SCHEMBL16728599

SCHEMBL16728599

CCc1ccc(-c2nn3c(c2C(N)=O)CN(C(=O)Nc2ccc(CI)cc2)[C@@H]2COC[C@@H]23)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 16/20 0.45
▸ CSNK1D P48730 15/20 0.45
▸ RIPK2 O43353 1/20 0.33
▸ BTK Q06187 1/20 0.32
▸ SRC P12931 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
SCHEMBL16730692 0.84 CSNK1E (0.42) CSNK1ECSNK1DRIPK2
SCHEMBL18171151 0.80 CSNK1E (0.61) CSNK1ECSNK1DRIPK2BTK
SCHEMBL18171256 0.78 CSNK1E (0.71) CSNK1ECSNK1DBTK
SCHEMBL16728553 0.75 CSNK1E (0.57) CSNK1ECSNK1DBTK
SCHEMBL16699673 0.74 CSNK1E (0.51) CSNK1ECSNK1D
SCHEMBL16728598 0.74 CSNK1E (0.78) CSNK1ECSNK1DBTK
SCHEMBL16699976 0.72 CSNK1E (0.47) CSNK1ECSNK1DRIPK2BTK
SCHEMBL16699157 0.71 CSNK1E (0.46) CSNK1ECSNK1DBTK
SCHEMBL16711398 0.71 CSNK1E (0.47) CSNK1ECSNK1DBTK
SCHEMBL16711516 0.69 CSNK1E (0.48) CSNK1ECSNK1DRIPK2BTK

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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