SCHEMBL18818872

SCHEMBL18818872

CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccccc4C4N=C(c5ccccc5)NC(c5ccccc5)N4)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 12/20 0.36
▸ P2RX7 Q99572 2/20 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
SCHEMBL18818884 0.90 PDK2 (0.37) PDK2
SCHEMBL18819144 0.89 PDK2 (0.33) PDK2
SCHEMBL18818875 0.88 PDK2 (0.32) PDK2
SCHEMBL18965447 0.88 PDK2 (0.33) PDK2P2RX7
SCHEMBL27255579 0.88 PDK2 (0.34) PDK2P2RX7
SCHEMBL18819303 0.87 PDK2 (0.31) PDK2
SCHEMBL27347507 0.87 PDK2 (0.34) PDK2
SCHEMBL18818878 0.87 P2RX7 (0.32) PDK2P2RX7
SCHEMBL27432113 0.84 PDK2 (0.34) PDK2
SCHEMBL18818779 0.84 PDK2 (0.31) PDK2

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
WO-2017074053-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2017-05-04 — — WO disclosed
WO-2017074052-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2017-05-04 — — WO disclosed
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