SCHEMBL21159944

SCHEMBL21159944

CC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc4ccccc4c3-c3ccc(C4N=C(c5ccccc5)NC(c5ccccc5)N4)cc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 1/20 0.33
▸ F11 P03951 1/20 0.33
▸ F7 P08709 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ALK Q9UM73 4/20 0.32
▸ SLC22A12 Q96S37 1/20 0.31
▸ 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
▸ CYP19A1 P11511 1/20 0.30
▸ STK10 O94804 1/20 0.30
▸ SLK Q9H2G2 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
SCHEMBL21159679 0.97 ALK (0.33) F10F11F7NPC1RAB9A
SCHEMBL21160119 0.91 STK10 (0.32) F10F11F7NPC1RAB9A
SCHEMBL21159665 0.88 NPC1 (0.36) F10F11F7NPC1RAB9A
SCHEMBL21159943 0.88 — —
SCHEMBL21160263 0.88 NPC1 (0.41) NPC1RAB9ASLC22A12CYP19A1
SCHEMBL21160342 0.88 NPC1 (0.38) NPC1RAB9ASLC22A12CYP19A1STK10
SCHEMBL21159670 0.87 NPC1 (0.40) NPC1RAB9ASLC22A12CYP19A1
SCHEMBL18819304 0.86 F10 (0.34) F10F11F7NPC1RAB9A
SCHEMBL21159672 0.86 ADORA2A (0.35) NPC1RAB9ACLK4CYP19A1STK10
SCHEMBL27460044 0.85 NPC1 (0.37) NPC1RAB9ASLC22A12CYP19A1

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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