SCHEMBL21170349

SCHEMBL21170349

CC(CNc1ccc(-c2ccc3[nH]nc(N)c3c2)nn1)c1ccccc1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 14/20 0.40
▸ ROCK2 O75116 7/20 0.39
▸ CDK2 P24941 6/20 0.39
▸ JAK3 P52333 6/20 0.39
▸ ROCK1 Q13464 6/20 0.39
▸ DYRK1A Q13627 6/20 0.39
▸ CDC7 O00311 5/20 0.39
▸ GSK3B P49841 5/20 0.39
▸ AURKB Q96GD4 5/20 0.39
▸ PRKACA P17612 4/20 0.39
▸ DAPK3 O43293 4/20 0.39
▸ CDK1 P06493 4/20 0.39
▸ MARK3 P27448 4/20 0.39
▸ CDK5 Q00535 4/20 0.39
▸ PRKCD Q05655 4/20 0.39
▸ PRKD2 Q9BZL6 4/20 0.39
▸ MAPK13 O15264 3/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ MAPK12 P53778 3/20 0.39
▸ CSNK2A1 P68400 3/20 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
SCHEMBL21170342 0.83 MAP2K4 (0.39) JAK2ROCK2CDK2JAK3ROCK1
SCHEMBL21170457 0.80 JAK2 (0.40) JAK2ROCK2CDK2JAK3ROCK1
SCHEMBL12286791 0.80 JAK2 (0.41) JAK2ROCK2CDK2JAK3ROCK1
SCHEMBL21170188 0.78 JAK2 (0.41) JAK2ROCK2CDK2JAK3ROCK1
SCHEMBL21170165 0.77 CDK2 (0.41) JAK2ROCK2CDK2JAK3ROCK1
SCHEMBL21170076 0.75 CDK2 (0.40) JAK2ROCK2CDK2JAK3ROCK1
SCHEMBL12287860 0.74 JAK2 (0.41) JAK2ROCK2CDK2JAK3ROCK1
SCHEMBL21170049 0.73 DYRK1A (0.38) JAK2ROCK2CDK2JAK3ROCK1
SCHEMBL21170135 0.73 MAPK1 (0.38) CDK2MAPK1
SCHEMBL12287507 0.72 JAK2 (0.44) JAK2ROCK2CDK2JAK3ROCK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3127541-B1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS INC (US) 2019-07-17 — — EP disclosed
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