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SCHEMBL21160365

SCHEMBL21160365

CC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc(-c4c(-c5ccc(C6=NC(c7ccccc7)=NC(c7ccccc7)N6)cc5)ccc5ccccc45)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 4/20 0.34
▸ F10 P00742 1/20 0.33
▸ F11 P03951 1/20 0.33
▸ F7 P08709 1/20 0.33
▸ PGR P06401 3/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SLC22A12 Q96S37 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ STK10 O94804 1/20 0.30
▸ SLK Q9H2G2 1/20 0.30
▸ SRPK1 Q96SB4 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
SCHEMBL22056938 0.98 ALK (0.34) ALKF10F11F7PGR
SCHEMBL23095464 0.97 ALK (0.34) ALKF10F11F7PGR
SCHEMBL22056447 0.95 NPC1 (0.34) ALKF10F11F7NPC1
SCHEMBL21160288 0.92 ALK (0.33) ALKF10F11F7NPC1
SCHEMBL23655146 0.91 PGR (0.34) ALKF10F11F7PGR
SCHEMBL22056937 0.91 ALK (0.33) ALKF10F11F7NPC1
SCHEMBL22841678 0.90 ADORA2A (0.36) PGRNPC1RAB9ASTK10SLK
SCHEMBL22841525 0.90 PGR (0.36) ALKF10F11F7PGR
SCHEMBL22056448 0.90 NPC1 (0.39) NPC1RAB9ASLC22A12
SCHEMBL22114952 0.90 PGR (0.38) ALKF10F11F7PGR

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-3498804-B1 ORGANIC LIGHT EMITTING DEVICE LG CHEMICAL LTD (KR) 2020-06-03 — — EP disclosed
EP-3498804-A1 ORGANIC LIGHT EMITTING DEVICE LG Chem, Ltd. (KR) 2019-06-19 — — EP disclosed
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