SCHEMBL11238439

SCHEMBL11238439

Cc1cc(N=C2NCCN2)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAPK3 O43293 1/20 0.36
NTRK1 P04629 1/20 0.36
PIM1 P11309 1/20 0.36
FLT3 P36888 1/20 0.36
GSK3B P49841 1/20 0.36
ROCK1 Q13464 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
GRM5 P41594 1/20 0.35
NISCH Q9Y2I1 2/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
ACHE P22303 1/20 0.30

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
SCHEMBL5898334 0.86 NISCH (0.41) NISCHACHE
SCHEMBL11240137 0.82 ITGB3 (0.42) NISCH
SCHEMBL5153906 0.79 LMNA (0.33)
Bromide SCHEMBL11367894 0.77 IDO1 (0.37)
Hydrochloric Acid SCHEMBL11352198 0.77 IDO1 (0.37)
SCHEMBL5154750 0.75 TDP1 (0.41)
Bromide SCHEMBL11354189 0.74 ACHE (0.39) ACHE
Hydrochloric Acid SCHEMBL10884932 0.74 TDP1 (0.39)
SCHEMBL3782607 0.72 HPGD (0.42) NISCHACHE
SCHEMBL13196361 0.72 DAPK3 (0.38) DAPK3NTRK1PIM1FLT3GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0012822-B1 3,4-DISUBSTITUTED 2-PHENYLIMINO-IMIDAZOLIDINES, THEIR ACID ADDITION SALTS, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND PROCESS FOR THEIR PRODUCTION C.H. BOEHRINGER SOHN (DE) 1982-12-01 EP disclosed
EP-0012822-A1 3,4-Disubstituted 2-phenylimino-imidazolidines, their acid addition salts, pharmaceutical preparations containing them and process for their production C.H. BOEHRINGER SOHN (DE) 1980-07-09 EP disclosed