SCHEMBL16067887

SCHEMBL16067887

c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc4[nH]c5c6ccccc6c6ccccc6c5c4c3)c3ccccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 2/20 0.41
▸ BCHE P06276 1/20 0.40
▸ CDK4 P11802 10/20 0.40
▸ CCND1 P24385 10/20 0.40
▸ 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
▸ GSK3A P49840 2/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ CDK5 Q00535 2/20 0.38
▸ CDK5R1 Q15078 2/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ KIF11 P52732 1/20 0.37

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
SCHEMBL16067782 0.99 ALK (0.42) ALKBCHECDK4CCND1CCNB2
SCHEMBL17122581 0.95 ALK (0.44) ALKBCHECDK4CCND1CCNB2
SCHEMBL17122582 0.94 CDK4 (0.41) ALKBCHECDK4CCND1CCNB2
SCHEMBL16067880 0.94 ALK (0.44) ALKBCHECDK4CCND1CCNB2
SCHEMBL16068066 0.92 BCHE (0.42) ALKBCHECDK4CCND1CCNB2
SCHEMBL16067748 0.90 CDK4 (0.39) BCHECDK4CCND1CCNB2CCNE2
SCHEMBL16067519 0.89 CDK4 (0.41) BCHECDK4CCND1CCNB2CCNE2
SCHEMBL16068049 0.87 CDK4 (0.45) ALKCDK4CCND1CCNB2CCNE2
SCHEMBL16067809 0.87 CDK4 (0.45) ALKCDK4CCND1CCNB2CCNE2
SCHEMBL16067798 0.86 HTR2B (0.45) CDK4CCND1CCNB2CCNE2CDK1

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
Send feedback