SCHEMBL4879715

SCHEMBL4879715

CCc1cc(OC)cc2[nH]c(-c3cccc(O)c3)c(C#N)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.44
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
DYRK1A Q13627 2/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SERPINE1 P05121 1/20 0.37
PIM2 Q9P1W9 2/20 0.37
CD274 Q9NZQ7 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA4 P48058 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL4779864 0.88 NOX1 (0.41) PIM1FNTAFNTBDYRK1ACLK1
SCHEMBL4774067 0.80 RXRA (0.44) HPGDMEN1KMT2AGRIA2GRIA4
SCHEMBL10097343 0.78 PIM1 (0.50) PIM1DYRK1ACLK1CLK2CLK4
SCHEMBL4778723 0.70 ALDH1A1 (0.33) HPGDMEN1HTTKMT2ANPSR1
SCHEMBL10097341 0.68 MAPK13 (0.48) DYRK1ACLK1CLK2CLK4DYRK1B
SCHEMBL8589109 0.68 NOX1 (0.46) HPGDMEN1KMT2AKDM4EALDH1A1
SCHEMBL29731230 0.66 ACMSD (0.67) PIM1PIM2KDM4EGAACYP11B1
SCHEMBL28843348 0.66 ACMSD (0.67) PIM1PIM2KDM4EGAACYP11B1
SCHEMBL8590356 0.66 TUBB4A (0.48) HPGDMEN1HTTKMT2AKDM4E
SCHEMBL10095669 0.65 HSD17B10 (0.51) HPGDMEN1HTTKMT2ANPSR1

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-1979315-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-15 EP disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed