SCHEMBL6385491

SCHEMBL6385491

CCN(CC)CCN1C(=O)c2c(c3c4cccc(Cl)c4n([C@@H]4O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]4OP(=O)(O)O)c3c3[nH]c4c(Cl)cccc4c23)C1=O

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 10/20 0.67
DYRK1A Q13627 1/20 0.64
PAX8 Q06710 1/20 0.64
PRKD3 O94806 1/20 0.63
PRKCG P05129 1/20 0.63
PRKCB P05771 1/20 0.63
PRKCH P24723 1/20 0.63
PRKCI P41743 1/20 0.63
PRKCE Q02156 1/20 0.63
PRKCQ Q04759 1/20 0.63
PRKCZ Q05513 1/20 0.63
PRKCD Q05655 1/20 0.63
PRKD1 Q15139 1/20 0.63
TOP1 P11387 13/20 0.45
EGFR P00533 3/20 0.43

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
Becatecarin SCHEMBL6385483 0.94 PRKCA (0.74) PRKCADYRK1APAX8PRKD3PRKCG
Becatecarin SCHEMBL5953888 0.93 PRKCA (0.78) PRKCADYRK1APAX8PRKD3PRKCG
Becatecarin SCHEMBL5953787 0.93 PRKCA (0.78) PRKCADYRK1APAX8PRKD3PRKCG
Becatecarin SCHEMBL31237559 0.93 PRKCA (0.78) PRKCADYRK1APAX8PRKD3PRKCG
Becatecarin SCHEMBL29378739 0.93 PRKCA (0.78) PRKCADYRK1APAX8PRKD3PRKCG
SCHEMBL26846490 0.86 PRKCA (0.65) PRKCADYRK1APAX8PRKD3PRKCG
SCHEMBL14498686 0.80 PRKCA (0.57) PRKCADYRK1APAX8PRKD3PRKCG
Rebeccamycin SCHEMBL12961242 0.78 DYRK1A (1.00) PRKCADYRK1APAX8PRKD3PRKCG
Rebeccamycin SCHEMBL14069957 0.78 DYRK1A (1.00) PRKCADYRK1APAX8PRKD3PRKCG
Rebeccamycin SCHEMBL32690193 0.78 DYRK1A (1.00) PRKCADYRK1APAX8PRKD3PRKCG

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-20050228490-A1 Medical devices to treat or inhibit restenosis MEDTRONIC VASCULAR, INC. (US) 2005-10-13 US disclosed