SCHEMBL10327385

SCHEMBL10327385

CSc1nc(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
▸ TRPV4 Q9HBA0 9/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ AKT1 P31749 1/20 0.44
▸ RAF1 P04049 4/20 0.42
▸ BRAF P15056 4/20 0.42
▸ EPHX2 P34913 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
SCHEMBL10327259 0.91 TRPV4 (0.49) LMNATRPV4KMT2AEPHX2CASR
SCHEMBL12946845 0.90 TRPV4 (0.44) LMNATHRBTRPV4KMT2AAKT1
SCHEMBL10327373 0.89 LMNA (0.46) LMNATHRBTRPV4KMT2AAKT1
SCHEMBL10327267 0.88 LMNA (0.46) LMNATHRBTRPV4KMT2AAKT1
SCHEMBL10327319 0.86 RAF1 (0.45) LMNATHRBTRPV4KMT2AAKT1
SCHEMBL10180493 0.86 TRPV4 (0.42) LMNATHRBTRPV4KMT2AAKT1
SCHEMBL12946848 0.82 TRPV4 (0.48) LMNATHRBTRPV4KMT2AEPHX2
SCHEMBL12946857 0.81 TRPV4 (0.44) LMNATHRBTRPV4KMT2AAKT1
SCHEMBL10327476 0.81 SMN1; SMN2 (0.45) LMNAKMT2A
SCHEMBL12946985 0.80 MAPK8 (0.45) LMNATHRBTRPV4KMT2AAKT1

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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