SCHEMBL16720483

SCHEMBL16720483

Cn1c(-c2c[nH]c3ncccc23)cc2cc[c]cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 5/20 0.45
▸ IKBKE Q14164 3/20 0.45
▸ TBK1 Q9UHD2 2/20 0.45
▸ TGFBR1 P36897 2/20 0.45
▸ DYRK1A Q13627 6/20 0.42
▸ CDK2 P24941 6/20 0.42
▸ CDK9 P50750 5/20 0.42
▸ CCNT1 O60563 2/20 0.42
▸ CCNA2 P20248 2/20 0.42
▸ CCNE1 P24864 2/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ CDC7 O00311 5/20 0.41
▸ GSK3B P49841 5/20 0.41
▸ MAP4K4 O95819 4/20 0.41
▸ PIM1 P11309 4/20 0.41
▸ PRKACA P17612 4/20 0.41
▸ CLK4 Q9HAZ1 4/20 0.41
▸ CDK5 Q00535 4/20 0.41
▸ HIPK2 Q9H2X6 3/20 0.41
▸ ROCK2 O75116 2/20 0.41

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
SCHEMBL16719998 0.91 PDPK1 (0.45) PDPK1IKBKETBK1TGFBR1DYRK1A
SCHEMBL20376188 0.84 DYRK1A (0.49) PDPK1IKBKETBK1TGFBR1DYRK1A
SCHEMBL16720287 0.75 TGFBR1 (0.46) PDPK1IKBKETBK1TGFBR1DYRK1A
SCHEMBL16720399 0.73 TGFBR1 (0.46) PDPK1IKBKETBK1TGFBR1DYRK1A
SCHEMBL16719827 0.72 LRRK2 (0.40) PDPK1IKBKETBK1TGFBR1DYRK1A
SCHEMBL16719451 0.72 CDC7 (0.45) PDPK1IKBKETBK1TGFBR1DYRK1A
SCHEMBL16719631 0.72 CDC7 (0.51) PDPK1IKBKETBK1TGFBR1DYRK1A
SCHEMBL16719799 0.70 CDK9 (0.55) PDPK1IKBKETBK1TGFBR1DYRK1A
SCHEMBL16720350 0.70 CAMKK2 (0.60) PDPK1IKBKETBK1TGFBR1DYRK1A
SCHEMBL16720531 0.69 BRD4 (0.57) PDPK1IKBKETBK1TGFBR1DYRK1A

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-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 — — EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 — — WO disclosed
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