SCHEMBL27782789

SCHEMBL27782789

c1ccc(-c2ccc3[nH]c4ccc(-c5ccccc5)c(-c5cccc6ccccc56)c4c3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 10/20 0.53
CCND1 P24385 9/20 0.53
ALK Q9UM73 1/20 0.44
CCNB2 O95067 1/20 0.44
CCNE2 O96020 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
WEE1 P30291 5/20 0.44
CHEK1 O14757 5/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MEN1 O00255 1/20 0.40
PRKD3 O94806 1/20 0.40
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40

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
SCHEMBL3339205 0.84 CA12 (0.52) CDK4CCND1ALKCCNB2CCNE2
SCHEMBL137707 0.83 CDK4 (0.57) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL3341143 0.83 CDK4 (0.52) CDK4CCND1ALKCCNB2CCNE2
SCHEMBL16745241 0.82 CDK4 (0.51) CDK4CCND1ALKCCNB2CCNE2
SCHEMBL17154795 0.81 CA12 (0.51) CDK4CCND1ALKCCNB2CCNE2
SCHEMBL23609819 0.80 CDK4 (0.73) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL17563211 0.80 CDK4 (0.73) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL19494764 0.80 CDK4 (0.56) CDK4CCND1ALKCCNB2CCNE2
SCHEMBL30030358 0.79 CA12 (0.49) CDK4CCND1ALKCA12CA1
SCHEMBL18428557 0.79 CA12 (0.49) CDK4CCND1ALKCA12CA1

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
CN-101730681-B Naphthyl carbazole derivatives, KL host material, the organic light emitting device employing the same, the display device and the illumination device employing the same DONGWOO FINE CHEM CO LTD 2012-08-15 CN disclosed
CN-101730681-A Naphthyl carbazole derivatives, kl host material, the organic light emitting device employing the same, the display device and the illumination device employing the same DONGWOO FINE CHEM 2010-06-09 CN disclosed