SCHEMBL16728666

SCHEMBL16728666

CC1Cn2nc(-c3ccc(Cl)c(Cl)c3)c(C(=O)N=NN)c2CN1C(=O)Nc1ccc(C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 17/20 0.57
▸ CSNK1D P48730 15/20 0.57
▸ RPA1 P27694 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ RORC P51449 1/20 0.33

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
SCHEMBL18184044 0.90 CSNK1E (0.69) CSNK1ECSNK1D
SCHEMBL16728859 0.89 CSNK1E (0.73) CSNK1ECSNK1DRPA1
SCHEMBL16728786 0.84 CSNK1E (0.65) CSNK1ECSNK1D
SCHEMBL18171175 0.83 CSNK1E (0.57) CSNK1ECSNK1D
SCHEMBL16722489 0.83 CSNK1E (0.81) CSNK1ECSNK1D
SCHEMBL16728809 0.80 CSNK1E (0.64) CSNK1ECSNK1D
SCHEMBL18184045 0.79 CSNK1E (0.88) CSNK1ECSNK1D
SCHEMBL16728839 0.78 CSNK1E (0.63) CSNK1ECSNK1D
SCHEMBL18183930 0.74 CSNK1E (0.76) CSNK1ECSNK1D
SCHEMBL18171131 0.74 CSNK1E (0.71) 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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