SCHEMBL19005247

SCHEMBL19005247

CC(C)(O)c1nnc2n1CCNC2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.34
OPRD1 P41143 1/20 0.31
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 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
Hydrochloric Acid SCHEMBL573084 0.98 MGLL (0.34) MGLLOPRD1
SCHEMBL13093275 0.86 MGLL (0.33) MGLL
SCHEMBL19005845 0.83 MGLL (0.37) MGLL
SCHEMBL4244840 0.80 MGLL (0.31) MGLL
SCHEMBL212149 0.79 MGLL (0.36) MGLL
Hydrochloric Acid SCHEMBL332198 0.77 MGLL (0.35) MGLL
SCHEMBL1971368 0.76 MGLL (0.34) MGLL
Phosphoric Acid SCHEMBL30844212 0.74 MGLL (0.39) MGLL
SCHEMBL929279 0.72 POLB (0.47) MGLLPDCD1CD274
SCHEMBL17611615 0.72 MGLL (0.33) MGLL

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-2017101796-A1 PHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2017-06-22 WO disclosed