SCHEMBL21159691

SCHEMBL21159691

CC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc(-c4ccc(C5N=C(c6ccccc6)NC(c6ccccc6)N5)c5ccccc45)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 5/20 0.36
▸ ALK Q9UM73 5/20 0.33
▸ PDK2 Q15119 2/20 0.33
▸ STK10 O94804 2/20 0.33
▸ SLK Q9H2G2 2/20 0.33
▸ 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
▸ CLK4 Q9HAZ1 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CHEK1 O14757 1/20 0.31
▸ DYRK3 O43781 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
SCHEMBL21159665 0.93 NPC1 (0.36) PGRALKPDK2STK10SLK
SCHEMBL22056450 0.92 PGR (0.35) PGRALKPDK2STK10SLK
SCHEMBL18818884 0.91 PDK2 (0.37) PGRALKPDK2STK10SLK
SCHEMBL21159898 0.91 ALK (0.33) PGRALKPDK2STK10SLK
SCHEMBL22056442 0.89 MEN1 (0.38) PGRPDK2STK10SLKNPC1
SCHEMBL22056435 0.88 NPC1 (0.42) NPC1RAB9ACLK4MEN1ALDH1A1
SCHEMBL21159694 0.87 — —
SCHEMBL18819304 0.87 F10 (0.34) PGRALKPDK2STK10SLK
SCHEMBL18819135 0.86 ALK (0.34) PGRALKPDK2STK10SLK
SCHEMBL21159679 0.85 ALK (0.33) PGRALKSTK10SLKF10

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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