SCHEMBL10182155

SCHEMBL10182155

CCOc1nc(N)nc([C@](N)(CCCN2CCOCC2)C(=O)Nc2cccc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 12/20 0.48
▸ EPHX2 P34913 3/20 0.48
▸ MAPK8 P45983 1/20 0.44
▸ MAPK9 P45984 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ THRB P10828 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
SCHEMBL10181136 0.92 MAPK8 (0.47) TRPV4EPHX2MAPK8MAPK9SMN1; SMN2
SCHEMBL10180610 0.88 TRPV4 (0.49) TRPV4EPHX2SMN1; SMN2KMT2AMEN1
SCHEMBL5568817 0.87 ALDH1A1 (0.40) MAPK8MAPK9SMN1; SMN2KMT2AMEN1
SCHEMBL964165 0.86 ALDH1A1 (0.39) MAPK8MAPK9KMT2AMEN1NPSR1
SCHEMBL10182156 0.86 TRPV4 (0.45) TRPV4EPHX2MAPK8MAPK9SMN1; SMN2
SCHEMBL10181159 0.85 TRPV4 (0.45) TRPV4EPHX2KMT2AMEN1THRB
SCHEMBL964886 0.84 POLB (0.37) MAPK8MAPK9KMT2AMEN1NPSR1
SCHEMBL967116 0.84 RXFP1 (0.40) TRPV4MAPK8MAPK9KMT2AMEN1
SCHEMBL1010116 0.84 POLB (0.40) MAPK8MAPK9KMT2AMEN1NPSR1
SCHEMBL965940 0.84 ALDH1A1 (0.42) MAPK8MAPK9SMN1; SMN2KMT2AMEN1

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
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
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