SCHEMBL23986172

SCHEMBL23986172

c1ccc(-c2cccc(C3=NC(c4cccc(-c5ccccc5)c4)NC(c4ccc5c6ccccc6c6ccccc6c5c4)=N3)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 1/20 0.33
▸ P2RX7 Q99572 2/20 0.31
▸ JAK2 O60674 2/20 0.31
▸ NOS2 P35228 1/20 0.31

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
SCHEMBL22664862 0.96 NISCH (0.34) NISCHP2RX7JAK2NOS2
SCHEMBL24747182 0.94 P2RX7 (0.33) NISCHP2RX7JAK2NOS2
SCHEMBL27345834 0.94 P2RX7 (0.35) P2RX7JAK2NOS2
SCHEMBL24747171 0.94 P2RX7 (0.35) NISCHP2RX7JAK2NOS2
SCHEMBL22355017 0.94 NISCH (0.34) NISCHP2RX7JAK2NOS2
SCHEMBL19751868 0.94 P2RX7 (0.35) P2RX7NOS2
SCHEMBL18934109 0.93 NOS2 (0.35) NISCHP2RX7NOS2
SCHEMBL19570196 0.93 P2RX7 (0.35) P2RX7NOS2
SCHEMBL18903112 0.93 P2RX7 (0.35) P2RX7NOS2
SCHEMBL19060864 0.93 NOS2 (0.35) NISCHP2RX7NOS2

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
EP-3904363-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2021-11-03 — — EP disclosed
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