SCHEMBL2445962

SCHEMBL2445962

COc1cccc(Cl)c1CNC(=N)Nc1nc(-c2ccc(F)cc2)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.42
ROCK1 Q13464 7/20 0.42
LCK P06239 2/20 0.39
BTK Q06187 2/20 0.39
PDGFRB P09619 2/20 0.35
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
Acetic Acid SCHEMBL2381285 0.95 ROCK2 (0.43) ROCK2ROCK1LCKBTKPDGFRB
SCHEMBL2421863 0.93 ROCK2 (0.44) ROCK2ROCK1PDGFRBLMNAKMT2A
Acetic Acid SCHEMBL2380056 0.89 ROCK2 (0.46) ROCK2ROCK1LMNAKMT2AMAPT
SCHEMBL2423455 0.85 ROCK2 (0.43) ROCK2PDGFRBLMNAKMT2AMAPT
SCHEMBL2380030 0.84 TP53 (0.46) ROCK2ROCK1KMT2AMAPTTP53
Acetic Acid SCHEMBL2379971 0.81 ROCK2 (0.45) ROCK2ROCK1PDGFRBLMNAKMT2A
SCHEMBL2381424 0.81 LMNA (0.48) ROCK2ROCK1LMNAKMT2AMAPT
SCHEMBL2445968 0.78 ROCK2 (0.42) ROCK2ROCK1LCKBTKPDGFRB
SCHEMBL2419457 0.77 HTT (0.46) ROCK2ROCK1LMNAKMT2ATP53
SCHEMBL2381290 0.76 ROCK2 (0.42) ROCK2ROCK1LCKBTKLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716127-B1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2014-08-06 EP disclosed
EP-2380885-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-10-26 EP disclosed
EP-2366392-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-09-21 EP disclosed
EP-2366697-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-09-21 EP disclosed