SCHEMBL17682210

SCHEMBL17682210

CC1(Cn2c(=O)[nH]c3ncn(CC4CC4)c3c2=O)CCC(O)(C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNOT7 Q9UIV1 9/20 0.36
▸ PARN O95453 1/20 0.34
▸ CYP11B2 P19099 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ GRIN1 Q05586 6/20 0.33
▸ GRIN2B Q13224 6/20 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
SCHEMBL17682211 0.81 KMT2A (0.45) —
SCHEMBL17682308 0.80 CNOT7 (0.39) CNOT7PARNCYP11B2GRIN1GRIN2B
SCHEMBL17682309 0.80 CNOT7 (0.39) CNOT7PARNCYP11B2GRIN1GRIN2B
SCHEMBL17682279 0.71 KMT2A (0.48) —
SCHEMBL17682280 0.71 KMT2A (0.48) —
SCHEMBL17682249 0.71 KMT2A (0.48) —
SCHEMBL19601312 0.70 KMT2A (0.50) —
SCHEMBL9350776 0.70 PDE4A (0.43) CNOT7PARNJAK2JAK1JAK3
SCHEMBL27537551 0.69 GRIN1 (0.43) CNOT7PARNGRIN1GRIN2B
SCHEMBL17682251 0.69 KMT2A (0.42) —

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
WO-2016054971-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF 南京明德新药研发股份有限公司 2016-04-14 — — WO disclosed
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