SCHEMBL360341

SCHEMBL360341

CC(CO)c1nc(-c2ccc(CC(CCO)NC(=O)c3ccc(OC(C)C(F)(F)F)c(Cl)c3)cc2)cn1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.47
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
KIFC1 Q9BW19 1/20 0.38
RORC P51449 1/20 0.36
ROCK2 O75116 1/20 0.35
PRKACA P17612 1/20 0.35
RPS6KB1 P23443 1/20 0.35
IRAK1 P51617 1/20 0.35
PRKX P51817 1/20 0.35
LIMK1 P53667 1/20 0.35
PRKG2 Q13237 1/20 0.35
ROCK1 Q13464 1/20 0.35
PRKG1 Q13976 1/20 0.35
PKN2 Q16513 1/20 0.35
HIPK4 Q8NE63 1/20 0.35
AURKB Q96GD4 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
CSNK1G1 Q9HCP0 1/20 0.35
DHODH Q02127 2/20 0.35

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
SCHEMBL2105055 0.92 CENPE (0.45) CENPETAS1R3TAS1R1KIFC1RORC
SCHEMBL3228885 0.91 CENPE (0.46) CENPETAS1R3TAS1R1KIFC1RORC
SCHEMBL2102628 0.91 CENPE (0.46) CENPETAS1R3TAS1R1KIFC1RORC
SCHEMBL13161873 0.90 CENPE (0.47) CENPETAS1R3TAS1R1KIFC1RORC
SCHEMBL3228894 0.90 CENPE (0.47) CENPETAS1R3TAS1R1KIFC1RORC
SCHEMBL3461049 0.90 CENPE (0.47) CENPETAS1R3TAS1R1KIFC1RORC
SCHEMBL3462475 0.90 CENPE (0.47) CENPETAS1R3TAS1R1KIFC1RORC
SCHEMBL3213587 0.90 CENPE (0.47) CENPETAS1R3TAS1R1KIFC1RORC
SCHEMBL2617427 0.90 CENPE (0.47) CENPETAS1R3TAS1R1KIFC1RORC
SCHEMBL3234840 0.89 CENPE (0.44) CENPETAS1R3TAS1R1KIFC1RORC

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-2582682-A1 METHODS OF TREATING LUNG DISEASE Cytokinetics, Inc. (US) 2013-04-24 EP disclosed
WO-2012009097-A1 METHODS OF TREATING LUNG DISEASE CYTOKINETICS, INC. (US) 2012-01-19 WO disclosed