SCHEMBL28451287

SCHEMBL28451287

CC(COCP(=O)(O)O)n1cnc2c(N)ncnc21

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.59
SLC22A6 Q4U2R8 1/20 0.59
ADORA2A P29274 2/20 0.59
ADORA2B P29275 2/20 0.59
ADORA1 P30542 2/20 0.59
CYP3A4 P08684 1/20 0.58
PI4KA P42356 1/20 0.53
PI4K2B Q8TCG2 1/20 0.53
PI4K2A Q9BTU6 1/20 0.53
PI4KB Q9UBF8 1/20 0.53
ENPP1 P22413 3/20 0.48
ENPP3 O14638 1/20 0.48
HPRT1 P00492 1/20 0.48
AHCY P23526 2/20 0.46

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
SCHEMBL6905183 0.88 FGFR1 (0.63) FGFR1SLC22A6ADORA2AADORA2BADORA1
SCHEMBL6897575 0.83 FGFR1 (0.56) FGFR1SLC22A6ADORA2AADORA2BADORA1
SCHEMBL886938 0.83 CYP3A4 (0.67) FGFR1SLC22A6ADORA2AADORA2BADORA1
SCHEMBL6898720 0.83 FGFR1 (0.56) FGFR1SLC22A6ADORA2AADORA2BADORA1
SCHEMBL6898237 0.83 FGFR1 (0.56) FGFR1SLC22A6ADORA2AADORA2BADORA1
SCHEMBL6690541 0.83 FGFR1 (0.56) FGFR1SLC22A6ADORA2AADORA2BADORA1
SCHEMBL6904146 0.83 FGFR1 (0.56) FGFR1SLC22A6ADORA2AADORA2BADORA1
SCHEMBL6905129 0.82 FGFR1 (0.52) FGFR1SLC22A6ADORA2AADORA2BADORA1
SCHEMBL28607691 0.82 ADORA2A (0.51) ADORA2AADORA2BADORA1CYP3A4PI4KA
SCHEMBL15941844 0.81 CYP3A4 (0.72) FGFR1SLC22A6ADORA2AADORA1CYP3A4

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-111606949-A Preparation method of fosaprevir impurity 浙江车头制药股份有限公司 2020-09-01 CN disclosed