SCHEMBL21170188

SCHEMBL21170188

CC(CNc1ccc(-c2ccc3[nH]nc(N)c3c2)nn1)c1cccc(CN)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 14/20 0.41
▸ ROCK2 O75116 11/20 0.41
▸ CDK2 P24941 10/20 0.41
▸ ROCK1 Q13464 10/20 0.41
▸ CDC7 O00311 9/20 0.41
▸ AURKB Q96GD4 9/20 0.41
▸ JAK3 P52333 9/20 0.41
▸ DAPK3 O43293 8/20 0.41
▸ CDK1 P06493 8/20 0.41
▸ MARK3 P27448 8/20 0.41
▸ CDK5 Q00535 8/20 0.41
▸ PRKCD Q05655 8/20 0.41
▸ DYRK1A Q13627 8/20 0.41
▸ PRKD2 Q9BZL6 8/20 0.41
▸ PRKACA P17612 7/20 0.41
▸ GSK3B P49841 6/20 0.41
▸ MAPK12 P53778 6/20 0.41
▸ CSNK2A1 P68400 6/20 0.41
▸ KDR P35968 6/20 0.41
▸ AKT3 Q9Y243 6/20 0.41

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
SCHEMBL21170076 0.89 CDK2 (0.40) JAK2ROCK2CDK2ROCK1CDC7
SCHEMBL21170457 0.88 JAK2 (0.40) JAK2ROCK2CDK2ROCK1CDC7
SCHEMBL21170342 0.83 MAP2K4 (0.39) JAK2ROCK2CDK2ROCK1CDC7
SCHEMBL21170165 0.82 CDK2 (0.41) JAK2ROCK2CDK2ROCK1CDC7
SCHEMBL12286793 0.80 JAK2 (0.41) JAK2ROCK2CDK2ROCK1CDC7
SCHEMBL21170349 0.78 JAK2 (0.40) JAK2ROCK2CDK2ROCK1CDC7
SCHEMBL2566241 0.76 JAK2 (0.43) JAK2ROCK2CDK2ROCK1CDC7
SCHEMBL21170049 0.75 DYRK1A (0.38) JAK2ROCK2CDK2ROCK1CDC7
SCHEMBL12287860 0.74 JAK2 (0.41) JAK2ROCK2CDK2ROCK1CDC7
SCHEMBL21170453 0.73 NTRK1 (0.44) DYRK1AGSK3BMAPK1CLK2NTRK1

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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