SCHEMBL16728629

SCHEMBL16728629

Cc1ccc(-c2nn3c(c2C(=O)N=NN)CN(C(=O)OC(C)(C)C)CC3)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 18/20 0.44
▸ CSNK1D P48730 16/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL16728627 0.88 CSNK1E (0.56) CSNK1ECSNK1D
SCHEMBL16728559 0.84 CSNK1E (0.58) CSNK1ECSNK1D
SCHEMBL16728558 0.84 CSNK1E (0.44) CSNK1ECSNK1D
SCHEMBL16711265 0.82 CSNK1E (0.55) CSNK1ECSNK1D
SCHEMBL16711308 0.79 CSNK1E (0.61) CSNK1ECSNK1D
SCHEMBL16728632 0.79 CSNK1E (0.50) CSNK1ECSNK1D
SCHEMBL16728630 0.77 ADORA1 (0.35) CSNK1ECSNK1D
SCHEMBL16730616 0.77 CSNK1E (0.56) CSNK1ECSNK1D
SCHEMBL16728678 0.77 CSNK1E (0.44) CSNK1ECSNK1D
SCHEMBL16728628 0.77 CSNK1E (0.54) 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
Send feedback