SCHEMBL16147494

SCHEMBL16147494

CC(C)(C)N(C(=O)O)C1CCN(c2nc(C#N)cc3ccccc23)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.39
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
JAK2 O60674 7/20 0.37
JAK3 P52333 6/20 0.37
PDE10A Q9Y233 1/20 0.35
JAK1 P23458 2/20 0.35
CTSS P25774 3/20 0.35
GPR119 Q8TDV5 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CCND1 P24385 1/20 0.34
CDK2 P24941 1/20 0.34
CCND3 P30281 1/20 0.34
CCNA1 P78396 1/20 0.34
CDK6 Q00534 1/20 0.34

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
SCHEMBL16009077 0.76 OPRM1 (0.42) CTSS
SCHEMBL1514436 0.76 GRM1 (0.43) GPR119
SCHEMBL16016637 0.75 PDE10A (0.51) DPP4JAK3PDE10A
Hydrochloric Acid SCHEMBL17628341 0.75 LMNA (0.39) CHEK2JAK2JAK3JAK1
Hydrochloric Acid SCHEMBL17628339 0.75 LMNA (0.39) CHEK2JAK2JAK3JAK1
SCHEMBL1514619 0.74 UCHL1 (0.43)
SCHEMBL1514405 0.73 ACACB (0.44)
SCHEMBL1514507 0.72 CHRM4 (0.43) DPP4
SCHEMBL1514469 0.72 KDM4E (0.39) JAK2JAK3GPR119
SCHEMBL1514342 0.71 FFAR2 (0.46) DPP4DPP7

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-2970202-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2016-01-20 EP disclosed
WO-2014164558-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-10-09 WO disclosed