SCHEMBL7689525

SCHEMBL7689525

Cc1cnnc2c1C(=O)CC(c1cc(Cl)ccc1F)C2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.34
PIM1 P11309 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
ERBB2 P04626 1/20 0.34
FLT3 P36888 1/20 0.34
MAP4K2 Q12851 1/20 0.34
CSNK1G1 Q9HCP0 1/20 0.33
MAP1LC3B Q9GZQ8 1/20 0.33
TERT O14746 1/20 0.33
PROKR1 Q8TCW9 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL7683110 0.89 MAP1LC3B (0.42) PIM1CLK4ERBB2FLT3MAP4K2
Hydrochloric Acid SCHEMBL7687669 0.81
SCHEMBL7681338 0.81 ALPL (0.41) ALPL
SCHEMBL7679042 0.80 MAPK1 (0.35) ALPLPIM1ERBB2FLT3MAP1LC3B
SCHEMBL7689231 0.79 HPGD (0.47) MAP1LC3BALDH1A1TP53MAPK1
SCHEMBL7690059 0.77 HSP90AA1 (0.30) ALPL
SCHEMBL6798471 0.76
Hydrochloric Acid SCHEMBL7689342 0.76
SCHEMBL7683538 0.72
SCHEMBL7685259 0.71 MAP1LC3B (0.43) MAP1LC3B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350749-B1 SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-26 US disclosed
EP-1057812-A1 AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed
EP-0950418-A2 Composition for preventing or treating ischemic disease Takeda Chemical Industries, Ltd. (JP) 1999-10-20 EP disclosed