SCHEMBL25879231

SCHEMBL25879231

c1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccc5sc6ccccc6c5c4c3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.37
▸ CCND1 P24385 2/20 0.37
▸ GPR3 P46089 1/20 0.35
▸ F9 P00740 2/20 0.34
▸ LIMK1 P53667 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ PIM3 Q86V86 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ APP P05067 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PTPN5 P54829 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33

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 0.99 CDK4 (0.39) CDK4CCND1GPR3F9LIMK1
SCHEMBL25878770 0.99 CDK4 (0.39) CDK4CCND1GPR3F9LIMK1
SCHEMBL25878930 0.97 CDK4 (0.40) CDK4CCND1GPR3F9LIMK1
SCHEMBL25879017 0.96 CDK4 (0.38) CDK4CCND1GPR3F9LIMK1
SCHEMBL25879016 0.95 CDK4 (0.40) CDK4CCND1GPR3F9LIMK1
SCHEMBL25878771 0.95 ESR1 (0.36) CDK4CCND1GPR3F9LIMK1
SCHEMBL25879104 0.95 CDK4 (0.40) CDK4CCND1GPR3F9LIMK1
SCHEMBL25878933 0.95 CDK4 (0.40) CDK4CCND1GPR3F9LIMK1
SCHEMBL25883173 0.95 GPR3 (0.35) CDK4CCND1GPR3F9LIMK1
SCHEMBL25879237 0.94 CDK4 (0.34) CDK4CCND1GPR3F9LIMK1

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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