SCHEMBL21170457

SCHEMBL21170457

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 15/20 0.40
▸ ROCK2 O75116 7/20 0.40
▸ ROCK1 Q13464 7/20 0.40
▸ MAPK1 P28482 3/20 0.38
▸ JAK3 P52333 7/20 0.38
▸ CDK2 P24941 6/20 0.38
▸ AURKB Q96GD4 6/20 0.38
▸ DAPK3 O43293 5/20 0.38
▸ CDK1 P06493 5/20 0.38
▸ MARK3 P27448 5/20 0.38
▸ CDK5 Q00535 5/20 0.38
▸ PRKCD Q05655 5/20 0.38
▸ DYRK1A Q13627 5/20 0.38
▸ PRKD2 Q9BZL6 5/20 0.38
▸ TYK2 P29597 5/20 0.38
▸ LIMK1 P53667 4/20 0.38
▸ PLK4 O00444 4/20 0.38
▸ DYRK3 O43781 4/20 0.38
▸ MAP4K4 O95819 4/20 0.38
▸ CLK2 P49760 4/20 0.38

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
SCHEMBL21170188 0.88 JAK2 (0.41) JAK2ROCK2ROCK1MAPK1JAK3
SCHEMBL21170076 0.85 CDK2 (0.40) JAK2ROCK2ROCK1MAPK1JAK3
SCHEMBL21170342 0.84 MAP2K4 (0.39) JAK2ROCK2ROCK1MAPK1JAK3
SCHEMBL21170165 0.81 CDK2 (0.41) JAK2ROCK2ROCK1MAPK1JAK3
SCHEMBL21170349 0.80 JAK2 (0.40) JAK2ROCK2ROCK1MAPK1JAK3
SCHEMBL12287882 0.79 JAK2 (0.41) JAK2ROCK2ROCK1MAPK1JAK3
SCHEMBL21170049 0.78 DYRK1A (0.38) JAK2ROCK2ROCK1MAPK1JAK3
SCHEMBL21170453 0.75 NTRK1 (0.44) MAPK1DYRK1ACLK2GSK3BNTRK1
SCHEMBL12287860 0.75 JAK2 (0.41) JAK2ROCK2ROCK1MAPK1JAK3
SCHEMBL21170135 0.74 MAPK1 (0.38) MAPK1CDK2

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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