SCHEMBL25879017

SCHEMBL25879017

c1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6ccc7sc8ccccc8c7c6c5)cc4)cc3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.38
▸ CCND1 P24385 2/20 0.38
▸ F9 P00740 3/20 0.35
▸ LIMK1 P53667 1/20 0.34
▸ APP P05067 1/20 0.34
▸ PIM3 Q86V86 2/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ GPR3 P46089 1/20 0.33
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ DUSP3 P51452 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ PTPN5 P54829 1/20 0.32

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
SCHEMBL25879230 0.97 CDK4 (0.39) CDK4CCND1F9LIMK1APP
SCHEMBL25878770 0.97 CDK4 (0.39) CDK4CCND1F9LIMK1APP
SCHEMBL25879013 0.96 CDK4 (0.34) CDK4CCND1F9LIMK1APP
SCHEMBL25879104 0.96 CDK4 (0.40) CDK4CCND1F9LIMK1APP
SCHEMBL25878933 0.96 CDK4 (0.40) CDK4CCND1F9LIMK1APP
SCHEMBL25879016 0.96 CDK4 (0.40) CDK4CCND1F9LIMK1APP
SCHEMBL25879231 0.96 CDK4 (0.37) CDK4CCND1F9LIMK1APP
SCHEMBL25878930 0.96 CDK4 (0.40) CDK4CCND1F9LIMK1PIM3
SCHEMBL25879097 0.94 CDK4 (0.37) CDK4CCND1F9LIMK1APP
SCHEMBL25878926 0.94 CDK4 (0.37) CDK4CCND1F9LIMK1APP

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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