SCHEMBL28053691

SCHEMBL28053691

CC(c1ccc(C(N)=O)cc1F)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.39
PARP1 P09874 1/20 0.38
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
PDE2A O00408 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
HTR1B P28222 2/20 0.36
DPP4 P27487 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
HTR1A P08908 2/20 0.36
HTR1D P28221 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL28053690 1.00 PARP10 (0.39) PARP10PARP1PTGS1PTGS2PDE2A
SCHEMBL4734628 0.80 PARP1 (0.44) PARP10PARP1DPP4
SCHEMBL24959998 0.78 PARP1 (0.42) PARP10PARP1DPP4
SCHEMBL28053612 0.77 ROCK2 (0.44) PARP10PARP1PTGS1PTGS2PDE2A
SCHEMBL28053615 0.77 ROCK2 (0.44) PARP10PARP1PTGS1PTGS2PDE2A
SCHEMBL28388304 0.74 CHEK2 (0.39) PARP10PARP1HTR1BHTR1AHTR1D
SCHEMBL25466542 0.73 HSD17B10 (0.44) PARP10PARP1DPP4
SCHEMBL16117008 0.72 CXCR3 (0.43) PDE2ADPP4DPP7HTR2C
SCHEMBL3691250 0.70 SLC9A1 (0.45) PARP10PARP1DPP4
SCHEMBL18451253 0.69 PARP1 (0.43) PARP10PARP1PDE2ADPP4

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
CN-103797010-B As the azetidinyl phenyl of JAK inhibitor, pyridyl or pyrazinyl carboxamides derivatives INCYTE HOLDINGS CORP. (US) 2016-02-24 CN disclosed