SCHEMBL16067807

SCHEMBL16067807

c1ccc(-c2ccccc2-c2c3ccccc3c(-c3cccc(-c4ccc5[nH]c6c7ccccc7c7ccccc7c6c5c4)c3)c3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 8/20 0.42
▸ CCND1 P24385 8/20 0.42
▸ CCNB2 O95067 1/20 0.40
▸ CCNE2 O96020 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CCNB3 Q8WWL7 1/20 0.40
▸ WEE1 P30291 4/20 0.38
▸ CHEK1 O14757 3/20 0.38
▸ GSK3A P49840 2/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ CDK5 Q00535 2/20 0.38
▸ CDK5R1 Q15078 2/20 0.38
▸ ALK Q9UM73 3/20 0.37
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 1/20 0.36

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
SCHEMBL16068044 0.96 CDK4 (0.42) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL16068049 0.92 CDK4 (0.45) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL16067809 0.92 CDK4 (0.45) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL16067784 0.91 CDK4 (0.44) CDK4CCND1WEE1CHEK1GSK3A
SCHEMBL16067804 0.91 CDK4 (0.44) CDK4CCND1WEE1CHEK1GSK3A
SCHEMBL16067518 0.90 CDK4 (0.42) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL17122582 0.89 CDK4 (0.41) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL17122581 0.88 ALK (0.44) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL16068043 0.87 GSK3A (0.45) CDK4CCND1WEE1CHEK1GSK3A
SCHEMBL16068056 0.87 GSK3A (0.45) CDK4CCND1WEE1CHEK1GSK3A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2924029-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME Idemitsu Kosan Co., Ltd (JP) 2015-09-30 — — EP disclosed
WO-2014141725-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME 出光興産株式会社 (JP) 2014-09-18 — — WO disclosed
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