SCHEMBL25879019

SCHEMBL25879019

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccc4ccc5sc6ccccc6c5c4c3)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 2/20 0.32
▸ CDK4 P11802 1/20 0.31
▸ CCND1 P24385 1/20 0.31
▸ GPR3 P46089 1/20 0.30
▸ CHEK1 O14757 1/20 0.30
▸ WEE1 P30291 1/20 0.30
▸ PIM3 Q86V86 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
SCHEMBL25879021 0.96 CDK4 (0.35) F9CDK4CCND1PIM3
SCHEMBL25881591 0.93 KDM4E (0.33) F9CHEK1WEE1PIM3
SCHEMBL25879088 0.93 F9 (0.36) F9CDK4CCND1GPR3CHEK1
SCHEMBL25878925 0.93 GPR3 (0.35) F9CDK4CCND1GPR3PIM3
SCHEMBL25879539 0.92 F9 (0.32) F9CDK4CCND1
SCHEMBL25879226 0.91 GPR3 (0.34) F9CDK4CCND1GPR3PIM3
SCHEMBL25878766 0.91 GPR3 (0.34) F9CDK4CCND1GPR3PIM3
SCHEMBL25879545 0.91 F9 (0.34) F9CDK4CCND1PIM3
SCHEMBL25882623 0.91 F9 (0.37) F9CDK4CCND1GPR3CHEK1
SCHEMBL25882202 0.90 GPR3 (0.37) F9CDK4CCND1GPR3PIM3

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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