SCHEMBL25879102

SCHEMBL25879102

c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6sc7ccccc7c6c5c4)cc3)c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ F9 P00740 3/20 0.33
▸ PIM3 Q86V86 2/20 0.33
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ LIMK1 P53667 1/20 0.32
▸ PIM1 P11309 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 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
SCHEMBL25879096 0.95 F9 (0.33) CDK4CCND1F9RXRARXRB
SCHEMBL25881736 0.93 PIM3 (0.33) CDK4CCND1F9PIM3RXRA
SCHEMBL25879735 0.92 F9 (0.33) F9PIM3RXRARXRB
SCHEMBL25879099 0.91 CDK4 (0.34) CDK4CCND1F9PIM3LIMK1
SCHEMBL25879730 0.90 F9 (0.33) F9RXRARXRB
SCHEMBL25879014 0.90 CDK4 (0.35) CDK4CCND1F9PIM3LIMK1
SCHEMBL25879158 0.90 CDK4 (0.35) CDK4CCND1F9PIM3LIMK1
SCHEMBL25879162 0.90 CDK4 (0.35) CDK4CCND1F9PIM3LIMK1
SCHEMBL25878930 0.88 CDK4 (0.40) CDK4CCND1F9PIM3LIMK1
SCHEMBL22058639 0.87 F9 (0.34) F9PIM3RXRARXRBLIMK1

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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