SCHEMBL10327267

SCHEMBL10327267

COc1nc(N)nc(N[C@@H](CN2CCOCC2)C(=O)Nc2cccc(C(F)(F)F)c2)c1N

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ LCK P06239 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ TRPV4 Q9HBA0 11/20 0.45
▸ EPHX2 P34913 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ AKT1 P31749 1/20 0.44
▸ RAF1 P04049 1/20 0.42
▸ BRAF P15056 1/20 0.42
▸ CASR P41180 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
SCHEMBL10327319 0.92 RAF1 (0.45) LMNALCKKDRTHRBTRPV4
SCHEMBL12946857 0.90 TRPV4 (0.44) LMNALCKKDRTHRBTRPV4
SCHEMBL10327385 0.88 LMNA (0.46) LMNATHRBTRPV4EPHX2KMT2A
SCHEMBL10327373 0.86 LMNA (0.46) LMNATHRBTRPV4EPHX2KMT2A
SCHEMBL10180583 0.86 TRPV4 (0.42) LMNALCKKDRTHRBTRPV4
SCHEMBL12946985 0.85 MAPK8 (0.45) LMNALCKKDRTHRBTRPV4
SCHEMBL12946845 0.81 TRPV4 (0.44) LMNATHRBTRPV4EPHX2KMT2A
SCHEMBL10327088 0.81 SMN1; SMN2 (0.47) LMNAKMT2A
SCHEMBL10180028 0.80 MAPK8 (0.45) LMNATHRBTRPV4EPHX2KMT2A
SCHEMBL10327259 0.79 TRPV4 (0.49) LMNATRPV4EPHX2KMT2ACASR

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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