SCHEMBL16730913

SCHEMBL16730913

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

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 17/20 0.42
▸ CSNK1D P48730 14/20 0.42
▸ RIPK2 O43353 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL16730675 0.89 CSNK1E (0.51) CSNK1ECSNK1DRIPK2ALDH1A1
SCHEMBL16711269 0.89 CSNK1E (0.54) CSNK1ECSNK1DRIPK2
SCHEMBL16711324 0.80 CSNK1E (0.52) CSNK1ECSNK1DRIPK2
SCHEMBL16711520 0.79 CSNK1E (0.65) CSNK1ECSNK1DRIPK2
SCHEMBL16711393 0.78 CSNK1E (0.64) CSNK1ECSNK1D
SCHEMBL16728777 0.77 CSNK1E (0.43) CSNK1ECSNK1DRIPK2
SCHEMBL16728617 0.77 CSNK1E (0.42) CSNK1ECSNK1DRIPK2
SCHEMBL16711371 0.75 CSNK1E (0.59) CSNK1ECSNK1D
SCHEMBL16711379 0.74 MAP4K4 (0.36) —
SCHEMBL30622953 0.74 KCNK3 (0.42) —

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-2015073763-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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