SCHEMBL21170346

SCHEMBL21170346

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 16/20 0.48
▸ CDC7 O00311 2/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ PAK4 O96013 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ PRKACA P17612 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ CSNK1A1 P48729 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ CDK7 P50613 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ PRKX P51817 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ MAP4K2 Q12851 1/20 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
SCHEMBL21170458 0.91 MAPK1 (0.43) MAPK1CDC7DAPK3ROCK2PRKD3
SCHEMBL21170450 0.84 CDC7 (0.38) MAPK1CDC7DAPK3ROCK2PRKD3
SCHEMBL21170309 0.84 MAPK1 (0.38) MAPK1CDC7DAPK3ROCK2PRKD3
SCHEMBL21170135 0.84 MAPK1 (0.38) MAPK1CDK2CDK9
SCHEMBL21170453 0.83 NTRK1 (0.44) MAPK1CLK2DYRK1ANTRK1GSK3B
SCHEMBL12287892 0.83 CDC7 (0.43) MAPK1CDC7DAPK3ROCK2PRKD3
SCHEMBL21170338 0.81 PSEN1 (0.39) MAPK1CDK2CDK9
SCHEMBL21170049 0.81 DYRK1A (0.38) MAPK1CDC7DAPK3ROCK2PRKD3
SCHEMBL21170243 0.81 MAPK1 (0.41) MAPK1CDC7PIM1CDK9DYRK1A
SCHEMBL21170454 0.80 CCNT1 (0.36) MAPK1CDK2CDK9DYRK1ANTRK1

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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