SCHEMBL20748973

SCHEMBL20748973

CN1Cc2c(C(N)=O)c(-c3ccc(F)c(Cl)c3)nn2C(C(C)(C)O)C1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 14/20 0.58
CSNK1D P48730 12/20 0.55
RIPK2 O43353 2/20 0.44
BTK Q06187 3/20 0.41
TGFBR1 P36897 1/20 0.39

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
SCHEMBL16700548 0.89 CSNK1E (0.63) CSNK1ECSNK1DRIPK2BTK
SCHEMBL21131257 0.88 CSNK1E (0.56) CSNK1ECSNK1DRIPK2BTK
SCHEMBL16711462 0.87 CSNK1E (0.67) CSNK1ECSNK1D
SCHEMBL16709034 0.86 CSNK1E (0.59) CSNK1ECSNK1DRIPK2BTK
SCHEMBL18184155 0.83 CSNK1E (0.73) CSNK1ECSNK1DBTK
SCHEMBL16700696 0.83 CSNK1E (0.52) CSNK1ECSNK1DRIPK2BTKTGFBR1
SCHEMBL16699603 0.82 CSNK1E (0.70) CSNK1ECSNK1DRIPK2BTK
SCHEMBL21131080 0.82 CSNK1E (0.61) CSNK1ECSNK1D
SCHEMBL16711524 0.82 CSNK1E (0.61) CSNK1ECSNK1D
SCHEMBL16700159 0.82 CSNK1E (0.61) 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
EP-3068784-B1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-02-20 EP disclosed