SCHEMBL16719855

SCHEMBL16719855

[c]1ccc2[nH]c(-c3c[nH]c4ncccc34)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHEB Q15382 2/20 0.47
▸ TGFBR1 P36897 3/20 0.45
▸ PDPK1 O15530 2/20 0.45
▸ IKBKE Q14164 2/20 0.45
▸ CDC7 O00311 7/20 0.43
▸ DBF4 Q9UBU7 2/20 0.43
▸ CDK9 P50750 4/20 0.43
▸ CDK5 Q00535 4/20 0.43
▸ CDK2 P24941 3/20 0.43
▸ CCNT1 O60563 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CCNA1 P78396 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ TBK1 Q9UHD2 1/20 0.42
▸ DYRK1A Q13627 4/20 0.41
▸ RPS6KA5 O75582 1/20 0.41
▸ MAP4K4 O95819 4/20 0.40
▸ PIM1 P11309 4/20 0.40
▸ PRKACA P17612 4/20 0.40
▸ GSK3B P49841 4/20 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
SCHEMBL26174488 0.81 TGFBR1 (0.58) RHEBTGFBR1PDPK1IKBKECDC7
SCHEMBL16719451 0.75 CDC7 (0.45) TGFBR1PDPK1IKBKECDC7DBF4
SCHEMBL16719799 0.73 CDK9 (0.55) TGFBR1PDPK1IKBKECDC7CDK9
SCHEMBL16720350 0.72 CAMKK2 (0.60) TGFBR1PDPK1IKBKECDC7CDK9
SCHEMBL16719631 0.72 CDC7 (0.51) TGFBR1PDPK1IKBKECDC7CDK9
SCHEMBL5885414 0.72 METAP2 (0.67) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL5618155 0.71 TGFBR1 (0.71) TGFBR1PDPK1IKBKECDC7CDK9
SCHEMBL2124653 0.70 KDM4E (0.66) PKN2KDM4ENPC1ALDH1A1HPGD
SCHEMBL16720393 0.70 CAMKK2 (0.48) TGFBR1PDPK1IKBKECDC7CDK9
SCHEMBL16720531 0.69 BRD4 (0.57) TGFBR1PDPK1IKBKECDC7CDK9

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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