SCHEMBL21159898

SCHEMBL21159898

CC1(C)c2cc(C#N)ccc2-c2c(-c3ccc(-c4ccc(C5N=C(c6ccccc6)NC(c6ccccc6)N5)c5ccccc45)cc3)cccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 4/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PGR P06401 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ F11 P03951 1/20 0.31
▸ F7 P08709 1/20 0.31
▸ SRPK1 Q96SB4 2/20 0.31
▸ CLK4 Q9HAZ1 2/20 0.31
▸ DYRK3 O43781 1/20 0.31
▸ CLK1 P49759 1/20 0.31
▸ CLK2 P49760 1/20 0.31
▸ SRPK2 P78362 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ DYRK2 Q92630 1/20 0.31
▸ SRPK3 Q9UPE1 1/20 0.31
▸ DYRK1B Q9Y463 1/20 0.31
▸ STK10 O94804 1/20 0.31
▸ SLK Q9H2G2 1/20 0.31
▸ MEN1 O00255 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
SCHEMBL22056411 0.92 NPC1 (0.34) ALKNPC1RAB9APGRF10
SCHEMBL21159691 0.91 PGR (0.36) ALKNPC1RAB9APGRF10
SCHEMBL21160212 0.89 NPC1 (0.34) ALKNPC1RAB9APGRF10
SCHEMBL21159694 0.87 — —
SCHEMBL21160119 0.86 STK10 (0.32) NPC1RAB9AF10F11F7
SCHEMBL21159692 0.85 ALK (0.35) ALKNPC1RAB9APGRF10
SCHEMBL22056450 0.84 PGR (0.35) ALKNPC1RAB9APGRF10
SCHEMBL22056435 0.84 NPC1 (0.42) NPC1RAB9ACLK4MEN1ALDH1A1
SCHEMBL21159665 0.84 NPC1 (0.36) ALKNPC1RAB9APGRF10
SCHEMBL18818884 0.84 PDK2 (0.37) 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 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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