SCHEMBL21159945

SCHEMBL21159945

CC1(C)c2cc(C#N)ccc2-c2c(-c3ccc4ccccc4c3-c3ccc(C4N=C(c5ccccc5)N=C(c5ccccc5)N4)cc3)cccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ALK Q9UM73 3/20 0.32
▸ F10 P00742 1/20 0.32
▸ F11 P03951 1/20 0.32
▸ F7 P08709 1/20 0.32
▸ STK10 O94804 1/20 0.31
▸ SLK Q9H2G2 1/20 0.31
▸ SLC22A12 Q96S37 1/20 0.30
▸ PGR P06401 1/20 0.30
▸ DYRK3 O43781 1/20 0.30
▸ CLK1 P49759 1/20 0.30
▸ CLK2 P49760 1/20 0.30
▸ SRPK2 P78362 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ DYRK2 Q92630 1/20 0.30
▸ SRPK1 Q96SB4 1/20 0.30
▸ CLK4 Q9HAZ1 1/20 0.30
▸ SRPK3 Q9UPE1 1/20 0.30
▸ DYRK1B Q9Y463 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
SCHEMBL22056937 0.98 ALK (0.33) NPC1RAB9AALKF10F11
SCHEMBL21160288 0.96 ALK (0.33) NPC1RAB9AALKF10F11
SCHEMBL21159974 0.92 ALK (0.35) NPC1RAB9AALKF10F11
SCHEMBL22056447 0.91 NPC1 (0.34) NPC1RAB9AALKF10F11
SCHEMBL21159664 0.91 NPC1 (0.35) NPC1RAB9AALKF10F11
SCHEMBL21160269 0.90 NPC1 (0.35) NPC1RAB9AALKF10F11
SCHEMBL22056938 0.90 ALK (0.34) NPC1RAB9AALKF10F11
SCHEMBL21159941 0.89 ALK (0.33) NPC1RAB9AALKF10F11
SCHEMBL22056456 0.89 ALK (0.33) NPC1RAB9AALKF10F11
SCHEMBL21160365 0.88 ALK (0.34) NPC1RAB9AALKF10F11

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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