SCHEMBL16720287

SCHEMBL16720287

Cn1nc(-c2c[nH]c3ncccc23)c2cc[c]cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 4/20 0.46
▸ PDPK1 O15530 3/20 0.46
▸ IKBKE Q14164 3/20 0.46
▸ TBK1 Q9UHD2 2/20 0.46
▸ RPS6KA5 O75582 1/20 0.43
▸ CDK2 P24941 5/20 0.40
▸ CDK9 P50750 3/20 0.40
▸ DYRK1A Q13627 3/20 0.40
▸ CCNT1 O60563 2/20 0.40
▸ CCNA2 P20248 2/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ CDC7 O00311 3/20 0.39
▸ MAP4K4 O95819 2/20 0.39
▸ PIM1 P11309 2/20 0.39
▸ PRKACA P17612 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ HIPK2 Q9H2X6 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ CDK5 Q00535 2/20 0.39
▸ ROCK2 O75116 1/20 0.39

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
SCHEMBL16720399 0.91 TGFBR1 (0.46) TGFBR1PDPK1IKBKETBK1RPS6KA5
SCHEMBL16720483 0.75 PDPK1 (0.45) TGFBR1PDPK1IKBKETBK1RPS6KA5
SCHEMBL16719998 0.73 PDPK1 (0.45) TGFBR1PDPK1IKBKETBK1RPS6KA5
SCHEMBL16719799 0.71 CDK9 (0.55) TGFBR1PDPK1IKBKETBK1CDK2
SCHEMBL16720350 0.70 CAMKK2 (0.60) TGFBR1PDPK1IKBKETBK1CDK2
SCHEMBL16719631 0.70 CDC7 (0.51) TGFBR1PDPK1IKBKETBK1RPS6KA5
SCHEMBL16720531 0.70 BRD4 (0.57) TGFBR1PDPK1IKBKETBK1CDK2
SCHEMBL730566 0.69 L3MBTL1 (0.46) BRD4
SCHEMBL5618155 0.69 TGFBR1 (0.71) TGFBR1PDPK1IKBKETBK1RPS6KA5
SCHEMBL16720572 0.69 TGFBR1 (0.50) TGFBR1PDPK1IKBKETBK1CDK2

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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