SCHEMBL21170450

SCHEMBL21170450

CC(CNc1ccc(-c2ccc3[nH]nc(NS(C)(=O)=O)c3c2)nn1)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 7/20 0.38
▸ MAP2K4 P45985 2/20 0.38
▸ DAPK3 O43293 5/20 0.37
▸ CDK2 P24941 5/20 0.37
▸ CLK2 P49760 5/20 0.37
▸ CDK5 Q00535 5/20 0.37
▸ DYRK1A Q13627 5/20 0.37
▸ JAK3 P52333 4/20 0.37
▸ PKN2 Q16513 4/20 0.37
▸ CLK4 Q9HAZ1 4/20 0.37
▸ MAP4K4 O95819 3/20 0.37
▸ PLK4 O00444 3/20 0.37
▸ JAK2 O60674 3/20 0.37
▸ CDK1 P06493 3/20 0.37
▸ TYK2 P29597 3/20 0.37
▸ MAPK12 P53778 3/20 0.37
▸ AURKB Q96GD4 3/20 0.37
▸ ROCK2 O75116 2/20 0.37
▸ PRKD3 O94806 2/20 0.37
▸ DYRK3 O43781 2/20 0.37

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
SCHEMBL21170458 0.86 MAPK1 (0.43) CDC7DAPK3CDK2CLK2CDK5
SCHEMBL21170346 0.84 MAPK1 (0.48) CDC7DAPK3CDK2CLK2CDK5
SCHEMBL12287849 0.82 CDC7 (0.38) CDC7MAP2K4DAPK3CDK2CLK2
SCHEMBL21170243 0.82 MAPK1 (0.41) CDC7DYRK1ACDK9PIM1MAPK1
SCHEMBL21170135 0.82 MAPK1 (0.38) CDK2CDK9MAPK1CCNT1PSEN1
SCHEMBL21170453 0.81 NTRK1 (0.44) CLK2DYRK1AMAPK1GSK3BLRRK2
SCHEMBL21170338 0.81 PSEN1 (0.39) CDK2CDK9MAPK1CCNT1PSEN1
SCHEMBL21170049 0.80 DYRK1A (0.38) CDC7DAPK3CDK2CLK2CDK5
SCHEMBL21170454 0.80 CCNT1 (0.36) CDK2DYRK1AMAPK12CDK9MAPK1
SCHEMBL21170217 0.79 PSEN1 (0.36) DYRK1ACDK9CCNT1PSEN1PSEN2

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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