SCHEMBL21159974

SCHEMBL21159974

CC1(C)c2cc(C#N)ccc2-c2c(-c3ccc(-c4ccc(C5N=C(c6ccccc6)N=C(c6ccccc6)N5)cc4)c4ccccc34)cccc21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 7/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PGR P06401 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ F11 P03951 1/20 0.32
▸ F7 P08709 1/20 0.32
▸ SRPK1 Q96SB4 3/20 0.32
▸ SRPK2 P78362 2/20 0.32
▸ DYRK3 O43781 1/20 0.32
▸ CLK1 P49759 1/20 0.32
▸ CLK2 P49760 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ DYRK2 Q92630 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ SRPK3 Q9UPE1 1/20 0.32
▸ DYRK1B Q9Y463 1/20 0.32
▸ PDK2 Q15119 2/20 0.31
▸ CHEK1 O14757 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
SCHEMBL21159664 0.97 NPC1 (0.35) ALKNPC1RAB9APGRF10
SCHEMBL21159945 0.92 NPC1 (0.33) ALKNPC1RAB9APGRF10
SCHEMBL21159692 0.92 ALK (0.35) ALKNPC1RAB9APGRF10
SCHEMBL21160269 0.92 NPC1 (0.35) ALKNPC1RAB9APGRF10
SCHEMBL22056937 0.91 ALK (0.33) ALKNPC1RAB9AF10F11
SCHEMBL23020260 0.91 NPC1 (0.32) ALKNPC1RAB9APGRPDK2
SCHEMBL21160143 0.91 ALK (0.34) ALKNPC1RAB9APGRF10
SCHEMBL22056456 0.90 ALK (0.33) ALKNPC1RAB9APGRF10
SCHEMBL21160288 0.90 ALK (0.33) ALKNPC1RAB9AF10F11
SCHEMBL22056410 0.89 NPC1 (0.38) ALKNPC1RAB9APGRF10

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