SCHEMBL20345596

SCHEMBL20345596

CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3cc(/C=C/c4ccncc4)c(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc(-c7ccccc7)c7nsnc67)ccc4-5)cc3/C=C/c3ccncc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.36
▸ CHEK1 O14757 3/20 0.34
▸ PIK3CA P42336 1/20 0.33
▸ CDK1 P06493 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCND3 P30281 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ IMPDH2 P12268 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL20345617 1.00 PDK2 (0.36) PDK2CHEK1PIK3CACDK1CDK4
SCHEMBL20345614 0.92 PDK2 (0.39) PDK2CHEK1PIK3CACDK1CDK4
SCHEMBL20345599 0.88 PDK2 (0.34) PDK2CHEK1PIK3CACDK1CDK4
SCHEMBL20345618 0.88 PDK2 (0.34) PDK2CHEK1PIK3CACDK1CDK4
SCHEMBL20345611 0.85 PDK2 (0.31) PDK2LMNAMAPTMEN1KMT2A
SCHEMBL18025309 0.84 PDK2 (0.31) PDK2
SCHEMBL16018533 0.84 PDK2 (0.31) PDK2
SCHEMBL16018512 0.84 PDK2 (0.31) PDK2
SCHEMBL16018563 0.84 PDK2 (0.31) PDK2
SCHEMBL16018511 0.84 PDK2 (0.31) PDK2

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
US-20180190945-A1 FREQUENCY DEPENDENT LIGHT EMITTING DEVICES UNIV WAKE FOREST (US) 2018-07-05 — — US disclosed
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