SCHEMBL10182156

SCHEMBL10182156

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 11/20 0.45
▸ EPHX2 P34913 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KCNH2 Q12809 2/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ CTSK P43235 1/20 0.39

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
SCHEMBL10181137 0.92 MAPK8 (0.45) TRPV4EPHX2SMN1; SMN2KDM4EGAA
SCHEMBL10180611 0.88 TRPV4 (0.46) TRPV4EPHX2SMN1; SMN2KDM4EGAA
SCHEMBL5568821 0.87 MAPK8 (0.40) KDM4EGAAMAPK8MAPK9KMT2A
SCHEMBL964167 0.86 MAPK8 (0.39) KDM4EGAAMAPK8MAPK9KMT2A
SCHEMBL10182155 0.86 TRPV4 (0.48) TRPV4EPHX2SMN1; SMN2KDM4EGAA
SCHEMBL964888 0.85 MAPK8 (0.37) KDM4EGAAMAPK8MAPK9KMT2A
SCHEMBL10181160 0.84 TRPV4 (0.42) TRPV4EPHX2SMN1; SMN2KDM4EGAA
SCHEMBL963537 0.84 MAPK8 (0.40) KDM4EGAAMAPK8MAPK9KMT2A
SCHEMBL5568629 0.84 MAPK8 (0.42) KDM4EGAAMAPK8MAPK9KMT2A
SCHEMBL964431 0.82 MAPK8 (0.41) SMN1; SMN2KDM4EGAAMAPK8MAPK9

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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