SCHEMBL17596207

SCHEMBL17596207

CC1Cn2cnnc2CN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GPR119 Q8TDV5 4/20 0.36
▸ SETD7 Q8WTS6 2/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ SPR P35270 2/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL17596209 1.00 MAP4K4 (0.37) MAP4K4MEN1KMT2AGPR119SETD7
SCHEMBL17596598 0.80 P2RX7 (0.33) —
SCHEMBL26094122 0.78 MAP4K4 (0.37) MAP4K4MEN1KMT2AGPR119SETD7
SCHEMBL34469080 0.76 GPR119 (0.38) MAP4K4MEN1KMT2AGPR119SETD7
SCHEMBL4400866 0.74 NR1H2 (0.43) NR1H2ALDH1A1
SCHEMBL21253287 0.74 P2RX7 (0.36) MAP4K4GPR119SETD7
SCHEMBL20099681 0.74 P2RX7 (0.36) MAP4K4GPR119SETD7
SCHEMBL4927895 0.73 SETD7 (0.42) MAP4K4GPR119SETD7HSD11B1NR1H2
SCHEMBL344752 0.73 TSHR (0.56) MAP4K4GPR119SETD7NR1H2
SCHEMBL271429 0.73 TSHR (0.56) MAP4K4GPR119SETD7NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191488-B1 P2X7 MODULATING N-ACYL-TRIAZOLOPYRAZINES JANSSEN PHARMACEUTICA NV (BE) 2019-08-14 — — EP disclosed
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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