SCHEMBL21170458

SCHEMBL21170458

CC(=O)Nc1n[nH]c2ccc(-c3ccc(NCC(C)c4ccc(F)cc4)nn3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 11/20 0.43
▸ GSK3B P49841 7/20 0.42
▸ DAPK3 O43293 6/20 0.42
▸ CLK2 P49760 6/20 0.42
▸ CDK5 Q00535 6/20 0.42
▸ DYRK1A Q13627 6/20 0.42
▸ CDK2 P24941 5/20 0.42
▸ MAP4K2 Q12851 5/20 0.42
▸ MAP4K5 Q9Y4K4 5/20 0.42
▸ STK17A Q9UEE5 4/20 0.42
▸ MAP4K4 O95819 4/20 0.42
▸ PIM1 P11309 4/20 0.42
▸ CLK4 Q9HAZ1 4/20 0.42
▸ CDC7 O00311 4/20 0.42
▸ PAK4 O96013 4/20 0.42
▸ CSNK1A1 P48729 4/20 0.42
▸ CDK7 P50613 4/20 0.42
▸ CDK9 P50750 4/20 0.42
▸ PRKX P51817 4/20 0.42
▸ HIPK2 Q9H2X6 4/20 0.42

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
SCHEMBL21170346 0.91 MAPK1 (0.48) MAPK1GSK3BDAPK3CLK2CDK5
SCHEMBL21170450 0.86 CDC7 (0.38) MAPK1GSK3BDAPK3CLK2CDK5
SCHEMBL21170453 0.85 NTRK1 (0.44) MAPK1GSK3BCLK2DYRK1ALRRK2
SCHEMBL21170135 0.84 MAPK1 (0.38) MAPK1CDK2CDK9RAB9A
SCHEMBL21170338 0.83 PSEN1 (0.39) MAPK1CDK2CDK9RAB9A
SCHEMBL21170309 0.82 MAPK1 (0.38) MAPK1DAPK3CLK2CDK5DYRK1A
SCHEMBL2566386 0.82 DAPK3 (0.44) MAPK1GSK3BDAPK3CLK2CDK5
SCHEMBL21170049 0.82 DYRK1A (0.38) MAPK1GSK3BDAPK3CLK2CDK5
SCHEMBL21170243 0.82 MAPK1 (0.41) MAPK1DYRK1APIM1CDC7CDK9
SCHEMBL21170454 0.81 CCNT1 (0.36) MAPK1DYRK1ACDK2CDK9MAPK13

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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