SCHEMBL10327373

SCHEMBL10327373

C#Cc1nc(N)nc(N[C@@H](CN2CCOCC2)C(=O)Nc2cccc(C(F)(F)F)c2)c1N

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ THRB P10828 1/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ AKT1 P31749 1/20 0.44
▸ TRPV4 Q9HBA0 11/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ CASR P41180 1/20 0.42
▸ RAF1 P04049 2/20 0.41
▸ BRAF P15056 2/20 0.41

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
SCHEMBL10327385 0.89 LMNA (0.46) LMNATHRBKMT2AAKT1TRPV4
SCHEMBL10327267 0.86 LMNA (0.46) LMNATHRBKMT2AAKT1TRPV4
SCHEMBL10327319 0.85 RAF1 (0.45) LMNATHRBKMT2AAKT1TRPV4
SCHEMBL12946845 0.81 TRPV4 (0.44) LMNATHRBKMT2AAKT1TRPV4
SCHEMBL12946857 0.81 TRPV4 (0.44) LMNATHRBKMT2AAKT1TRPV4
SCHEMBL10327259 0.80 TRPV4 (0.49) LMNAKMT2ATRPV4EPHX2CASR
SCHEMBL12946985 0.80 MAPK8 (0.45) LMNATHRBKMT2AAKT1TRPV4
SCHEMBL10180583 0.77 TRPV4 (0.42) LMNATHRBKMT2AAKT1TRPV4
SCHEMBL10180493 0.77 TRPV4 (0.42) LMNATHRBKMT2AAKT1TRPV4
SCHEMBL10180028 0.76 MAPK8 (0.45) LMNATHRBKMT2AAKT1TRPV4

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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