SCHEMBL20038847

SCHEMBL20038847

c1ccc(C2=NC(c3ccccc3)NC(c3cc(-c4ccccc4)cc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)=N2)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 1/20 0.33
▸ P2RX7 Q99572 2/20 0.31
▸ JAK2 O60674 2/20 0.31
▸ NISCH Q9Y2I1 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
SCHEMBL22355017 0.96 NISCH (0.34) NOS2P2RX7JAK2NISCH
SCHEMBL18934109 0.95 NOS2 (0.35) NOS2P2RX7NISCH
SCHEMBL19060864 0.95 NOS2 (0.35) NOS2P2RX7NISCH
SCHEMBL24747171 0.94 P2RX7 (0.35) NOS2P2RX7JAK2NISCH
SCHEMBL22664862 0.94 NISCH (0.34) NOS2P2RX7JAK2NISCH
SCHEMBL18729777 0.93 P2RX7 (0.35) NOS2P2RX7
SCHEMBL27337678 0.93 P2RX7 (0.35) NOS2P2RX7
SCHEMBL18903112 0.93 P2RX7 (0.35) NOS2P2RX7
SCHEMBL24747182 0.92 P2RX7 (0.33) NOS2P2RX7JAK2NISCH
SCHEMBL19751868 0.91 P2RX7 (0.35) NOS2P2RX7

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-3015527-B1 ORGANIC COMPOUND FOR OPTOELECTRIC DEVICE AND COMPOSITION FOR OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO LTD (KR) 2018-04-11 — — EP disclosed
Send feedback