SCHEMBL17596598

SCHEMBL17596598

CC1Cn2cnnc2CN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.33
▸ PDPK1 O15530 1/20 0.32
▸ DPP4 P27487 1/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31
▸ NAMPT P43490 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ TSHR P16473 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
SCHEMBL5178203 0.67 BRD4 (0.38) MAPTTSHR
SCHEMBL30980046 0.67 NAMPT (0.49) PDPK1DPP4DPP8NAMPT
SCHEMBL21058321 0.67 MAPT (0.34) MAPTTSHR
SCHEMBL28912802 0.67 MAPT (0.34) MAPTTSHR
SCHEMBL20820009 0.66 — —
SCHEMBL20820011 0.66 — —
SCHEMBL28702632 0.66 GRM5 (0.33) MAPTTSHR
SCHEMBL28556462 0.66 GRM5 (0.35) MAPTTSHR
SCHEMBL17338866 0.65 PDPK1 (0.41) PDPK1
SCHEMBL29942704 0.64 TSHR (0.54) MAPTTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191488-A1 P2X7 MODULATING N-ACYL-TRIAZOLOPYRAZINES Janssen Pharmaceutica, N.V. (BE) 2017-07-19 — — EP disclosed
WO-2016039983-A1 P2X7 MODULATING N-ACYL-TRIAZOLOPYRAZINES JANSSEN PHARMACEUTICA NV (BE) 2016-03-17 — — WO disclosed
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