SCHEMBL17630778

SCHEMBL17630778

CCCCOC(=O)N1CCC(Oc2c(F)cc(Br)cc2C#N)C(F)C1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 16/20 0.37
GPR119 Q8TDV5 1/20 0.35
PGR P06401 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
JAK2 O60674 3/20 0.34
PDE4B Q07343 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
SCHEMBL17631222 0.84 GPR119 (0.43) TBK1GPR119
SCHEMBL17631219 0.84 GPR119 (0.43) TBK1GPR119
SCHEMBL17631162 0.75 TBK1 (0.42) TBK1GPR119JAK2PDE4B
SCHEMBL17645231 0.75 TBK1 (0.42) TBK1GPR119JAK2PDE4B
SCHEMBL17630657 0.75 TBK1 (0.40) TBK1JAK2
SCHEMBL17630496 0.73 TBK1 (0.40) TBK1JAK2
SCHEMBL25243028 0.70 PDE4B (0.46) GPR119PDE4B
SCHEMBL4453817 0.69 CCNB2 (0.40)
SCHEMBL30075766 0.69 LMNA (0.44) PDE4B
SCHEMBL30075785 0.69 LMNA (0.44) PDE4B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197884-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2017-08-02 EP disclosed
WO-2016049211-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-03-31 WO disclosed