SCHEMBL18965447

SCHEMBL18965447

CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(C7NC(c8ccc(-c9ccccc9)cc8)=NC(c8ccccc8)N7)cc6)c6ccccc56)c5ccccc45)cc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.33
▸ P2RX7 Q99572 2/20 0.30
▸ NOS2 P35228 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
SCHEMBL27347507 0.91 PDK2 (0.34) PDK2NOS2
SCHEMBL18965546 0.91 PDK2 (0.31) PDK2
SCHEMBL27255579 0.90 PDK2 (0.34) PDK2P2RX7
SCHEMBL27338099 0.90 PDK2 (0.31) PDK2
SCHEMBL18818872 0.88 PDK2 (0.36) PDK2P2RX7
SCHEMBL21159665 0.88 NPC1 (0.36) PDK2
SCHEMBL23099314 0.87 — —
SCHEMBL27432113 0.87 PDK2 (0.34) PDK2NOS2
SCHEMBL18819303 0.87 PDK2 (0.31) PDK2
SCHEMBL27251444 0.87 — —

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
WO-2017099430-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2017-06-15 — — WO disclosed
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