SCHEMBL21170342

SCHEMBL21170342

CC(CNc1ccc(-c2ccc3[nH]nc(N)c3c2)nn1)c1ccc(CO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 1/20 0.39
▸ JAK2 O60674 13/20 0.38
▸ ROCK2 O75116 7/20 0.38
▸ ROCK1 Q13464 7/20 0.38
▸ AURKB Q96GD4 7/20 0.38
▸ CDK2 P24941 6/20 0.38
▸ JAK3 P52333 6/20 0.38
▸ CDC7 O00311 5/20 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
▸ MAPK1 P28482 4/20 0.38
▸ MAPK12 P53778 4/20 0.38
▸ CSNK2A1 P68400 4/20 0.38
▸ LIMK1 P53667 3/20 0.38
▸ KDR P35968 3/20 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
SCHEMBL21170165 0.90 CDK2 (0.41) JAK2ROCK2ROCK1AURKBCDK2
SCHEMBL21170457 0.84 JAK2 (0.40) JAK2ROCK2ROCK1AURKBCDK2
SCHEMBL21170349 0.83 JAK2 (0.40) JAK2ROCK2ROCK1AURKBCDK2
SCHEMBL21170188 0.83 JAK2 (0.41) JAK2ROCK2ROCK1AURKBCDK2
SCHEMBL21170049 0.82 DYRK1A (0.38) JAK2ROCK2ROCK1AURKBCDK2
SCHEMBL21170135 0.82 MAPK1 (0.38) CDK2MAPK1
SCHEMBL12287507 0.81 JAK2 (0.44) MAP2K4JAK2ROCK2ROCK1AURKB
SCHEMBL21170076 0.80 CDK2 (0.40) JAK2ROCK2ROCK1AURKBCDK2
SCHEMBL21170453 0.80 NTRK1 (0.44) DYRK1AMAPK1GSK3BCLK2NTRK1
SCHEMBL21170454 0.78 CCNT1 (0.36) CDK2DYRK1AMAPK1MAPK12MAPK13

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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