SCHEMBL25880856

SCHEMBL25880856

c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5sc6ccccc6c5c5ccccc45)cc3)c(-c3ccccc3)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.33
▸ WEE1 P30291 1/20 0.33
▸ PTPN1 P18031 1/20 0.32
▸ GPR3 P46089 1/20 0.31
▸ PIM3 Q86V86 1/20 0.30
▸ F9 P00740 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
SCHEMBL25881005 0.90 F9 (0.34) CHEK1WEE1GPR3F9
SCHEMBL25880729 0.90 F9 (0.34) CHEK1WEE1GPR3F9
SCHEMBL25880363 0.90 CHEK1 (0.36) CHEK1WEE1PTPN1GPR3PIM3
SCHEMBL25881154 0.90 CHEK1 (0.36) CHEK1WEE1PTPN1GPR3PIM3
SCHEMBL25903330 0.88 GPR3 (0.37) CHEK1WEE1PTPN1GPR3PIM3
SCHEMBL25879099 0.87 CDK4 (0.34) PTPN1PIM3F9
SCHEMBL25884450 0.86 CHEK1 (0.33) CHEK1WEE1GPR3F9
SCHEMBL22435908 0.86 F9 (0.36) PTPN1GPR3PIM3F9
SCHEMBL25879734 0.86 HSD17B1 (0.34) PTPN1PIM3F9
SCHEMBL25879094 0.86 CDK4 (0.32) PTPN1PIM3F9

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
WO-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 — — WO disclosed
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