SCHEMBL3434404

SCHEMBL3434404

CC(=O)Nc1n[nH]c2ncc(Nc3ccccc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
BRAF P15056 1/20 0.47
MAPK1 P28482 6/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA1 P30542 1/20 0.45
DYRK1A Q13627 3/20 0.44
GSK3A P49840 3/20 0.43
GSK3B P49841 2/20 0.43
DYRK1B Q9Y463 2/20 0.42
NAPRT Q6XQN6 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
CHEK1 O14757 1/20 0.40
FGFR1 P11362 1/20 0.40
NEK2 P51955 1/20 0.40
MAPK15 Q8TD08 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7126812 0.82 GSK3A (0.64) MAPK1DYRK1AGSK3AGSK3BDYRK1B
SCHEMBL7128018 0.77 GSK3A (0.58) MAPK1GSK3AGSK3BCHEK1FGFR1
SCHEMBL1496202 0.75 DYRK1A (0.47) MAPK1DYRK1AGSK3AGSK3BDYRK1B
SCHEMBL12726035 0.73 DYRK1A (0.45) MAPK1DYRK1AGSK3AGSK3BDYRK1B
SCHEMBL7256652 0.72 BRAF (0.56) MAPTBRAFMAPK1DYRK1AGSK3A
SCHEMBL19736370 0.72 DYRK1A (0.49) MAPK1DYRK1AGSK3AGSK3B
SCHEMBL1496236 0.71 CYP1A2 (0.49) POLBMAPTMAPK1DYRK1AGSK3B
SCHEMBL1592868 0.71 MAPK1 (0.51) MAPTMAPK1GSK3AGSK3B
SCHEMBL628880 0.68 DYRK1A (0.63) POLBMAPTMAPK1DYRK1AGSK3A
SCHEMBL29930701 0.68 DYRK1B (0.67) MAPTBRAFMAPK1DYRK1AGSK3B

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-2265610-A1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111279-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed