SCHEMBL28294063

SCHEMBL28294063

CN(C)c1ccc(-c2cscn2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.35
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
METAP2 P50579 3/20 0.33
METAP1 P53582 3/20 0.33
CASP6 P55212 1/20 0.32
GRK5 P34947 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
ADORA2A P29274 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL17625960 0.73
SCHEMBL17666270 0.70 SYK (0.37) F2RL1HCRTR1HCRTR2METAP2METAP1
SCHEMBL27928104 0.69 SCN9A (0.41) F2RL1HCRTR1HCRTR2METAP2METAP1
SCHEMBL16982960 0.68 SYK (0.38) F2RL1HCRTR1HCRTR2METAP2METAP1
SCHEMBL1868592 0.67 SCN9A (0.40) F2RL1HCRTR1HCRTR2METAP2METAP1
SCHEMBL14754342 0.66 CASP6 (0.48) F2RL1METAP2METAP1CASP6TSHR
SCHEMBL26259959 0.65 METAP2 (0.44) F2RL1METAP2METAP1ALDH1A1TSHR
SCHEMBL17661891 0.65 F2RL1 (0.36) F2RL1HCRTR1HCRTR2METAP2METAP1
SCHEMBL10151023 0.65 MPL (0.50) HCRTR1HCRTR2METAP2METAP1CASP6
SCHEMBL4082911 0.64 MAPK1 (0.41) HCRTR1HCRTR2CASP6MAPK1ADORA2A

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-109776537-A Purinedione as WNT pathway modulators 新加坡科技研究局 2019-05-21 CN disclosed