SCHEMBL17596299

SCHEMBL17596299

COc1ccnc(-c2nnc3n2CC(C)N(C(=O)OC(C)(C)C)C3)c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.64
TACR3 P29371 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36

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
SCHEMBL17596300 1.00 P2RX7 (0.64) P2RX7TACR3GPR119CCR1CCR5
SCHEMBL16027635 0.82 P2RX7 (0.59) P2RX7
SCHEMBL16027633 0.82 P2RX7 (0.59) P2RX7
SCHEMBL20099705 0.78 P2RX7 (1.00) P2RX7
SCHEMBL17595605 0.78 P2RX7 (1.00) P2RX7
SCHEMBL17595604 0.78 P2RX7 (1.00) P2RX7
SCHEMBL21253552 0.76 P2RX7 (0.43) P2RX7GPR119
SCHEMBL20099682 0.76 P2RX7 (0.43) P2RX7GPR119
SCHEMBL17596277 0.76 P2RX7 (0.59) P2RX7TACR3
SCHEMBL17596276 0.76 P2RX7 (0.59) P2RX7TACR3

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