SCHEMBL28076472

SCHEMBL28076472

CC(NC(=O)c1ccc(OB(O)O)cc1F)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 12/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ ROCK1 Q13464 1/20 0.47
▸ PTGER4 P35408 3/20 0.45
▸ PTGER2 P43116 2/20 0.45
▸ LMNA P02545 1/20 0.44
▸ KCNQ3 O43525 1/20 0.44
▸ KCNQ2 O43526 1/20 0.44
▸ KCNQ4 P56696 1/20 0.44
▸ KCNQ5 Q9NR82 1/20 0.44
▸ PDPK1 O15530 1/20 0.43
▸ MAPK3 P27361 1/20 0.43
▸ MAOB P27338 1/20 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
SCHEMBL16679576 0.83 MAPK1 (0.49) MAPK1ROCK2ROCK1PTGER4PTGER2
SCHEMBL16679575 0.83 MAPK1 (0.49) MAPK1ROCK2ROCK1PTGER4PTGER2
SCHEMBL28257953 0.75 MAPK1 (0.46) MAPK1PTGER4PTGER2KCNQ3KCNQ2
SCHEMBL31546645 0.72 SMN1; SMN2 (0.43) MAPK1ROCK2ROCK1PTGER4LMNA
SCHEMBL16005896 0.72 ROCK1 (0.65) MAPK1ROCK2ROCK1
SCHEMBL15994614 0.72 ROCK1 (0.65) MAPK1ROCK2ROCK1
SCHEMBL31546658 0.72 MAPK1 (0.45) MAPK1ROCK2ROCK1LMNAMAPK3
SCHEMBL25762484 0.70 TRPA1 (0.56) MAPK1PTGER4PTGER2LMNA
SCHEMBL16679252 0.70 MAPK1 (0.50) MAPK1
SCHEMBL16679251 0.70 MAPK1 (0.50) MAPK1

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
CN-105658646-A Aminoheteroaryl benzamides as kinase inhibitors 诺华股份有限公司 2016-06-08 — — CN disclosed
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