SCHEMBL2249154

SCHEMBL2249154

COC[C@H]1C(C)N(C(=O)O)CCN1Cc1cccc(NC(=O)Nc2ccc(C)nc2)c1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 7/20 0.37
MAPK8 P45983 6/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CCR3 P51677 6/20 0.34
RORC P51449 1/20 0.34
DHODH Q02127 1/20 0.34
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
MAPK9 P45984 1/20 0.34
MEN1 O00255 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIRT2 Q8IXJ6 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
SCHEMBL2247100 1.00 MAPK10 (0.37) MAPK10MAPK8NPSR1CCR3RORC
SCHEMBL2249160 0.89 MAPK10 (0.40) MAPK10MAPK8NPSR1CCR3RORC
SCHEMBL2256236 0.89 MAPK10 (0.40) MAPK10MAPK8NPSR1CCR3RORC
SCHEMBL2249812 0.86 MAPK10 (0.38) MAPK10MAPK8NPSR1CCR3RORC
SCHEMBL2252813 0.86 MAPK10 (0.38) MAPK10MAPK8NPSR1CCR3RORC
SCHEMBL2257433 0.84 MAPK10 (0.40) MAPK10MAPK8NPSR1CCR3RORC
SCHEMBL2250623 0.84 MAPK10 (0.40) MAPK10MAPK8NPSR1CCR3RORC
SCHEMBL5653714 0.83 RORC (0.38) MAPK10MAPK8NPSR1CCR3RORC
SCHEMBL3200015 0.83 RORC (0.40) MAPK10MAPK8NPSR1CCR3RORC
SCHEMBL3198421 0.83 RORC (0.40) MAPK10MAPK8NPSR1CCR3RORC

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
US-7989455-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2011-08-02 US claimed
US-7989455-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2011-08-02 US disclosed