SCHEMBL6920030

SCHEMBL6920030

CC(=O)Nc1cccc(-c2ccc3nnc4c(O)n[nH]c4c3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.53
DYRK1B Q9Y463 3/20 0.53
CHEK1 O14757 2/20 0.52
FGFR1 P11362 1/20 0.52
NEK2 P51955 1/20 0.52
MAPK15 Q8TD08 1/20 0.52
MAP4K4 O95819 1/20 0.51
MAPT P10636 2/20 0.47
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
AAK1 Q2M2I8 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PLK4 O00444 1/20 0.45

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
SCHEMBL6919087 0.91 HSD17B1 (0.50) DYRK1ADYRK1BCHEK1FGFR1NEK2
SCHEMBL6919545 0.73 NMT2 (0.49) MAP4K4MAPTMEN1KMT2AALDH1A1
SCHEMBL29930674 0.71 DYRK1A (0.71) DYRK1ADYRK1BCHEK1FGFR1NEK2
SCHEMBL12907242 0.71 MAP4K4 (0.61) DYRK1ADYRK1BCHEK1FGFR1NEK2
SCHEMBL6914017 0.71 MAP4K4 (0.42) CHEK1MAP4K4
SCHEMBL12907599 0.71 CHEK1 (0.59) DYRK1ADYRK1BCHEK1FGFR1NEK2
SCHEMBL6915290 0.70 JAK2 (0.41) DYRK1ADYRK1BCHEK1FGFR1
SCHEMBL12821681 0.69 CHEK1 (0.69) DYRK1ADYRK1BCHEK1FGFR1NEK2
SCHEMBL3926376 0.69 HSD17B1 (0.57) MAP4K4MAPTHSD17B1HSD17B2MEN1
SCHEMBL29963134 0.68 CHEK1 (1.00) DYRK1ADYRK1BCHEK1FGFR1NEK2

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
WO-2004016615-A1 PYRAZOLO (4,3c) CINNOLINE COMPOUNDS AS INHIBITORS OF ITK KINASE ACTIVITY ASTRAZENECA AB (SE) 2004-02-26 WO claimed
WO-2004016615-A1 PYRAZOLO (4,3c) CINNOLINE COMPOUNDS AS INHIBITORS OF ITK KINASE ACTIVITY ASTRAZENECA AB (SE) 2004-02-26 WO disclosed