SCHEMBL10180493

SCHEMBL10180493

CSc1nc(N)nc(NC(=O)[C@H](CN2CCOCC2)Nc2cccc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 9/20 0.42
▸ LMNA P02545 3/20 0.42
▸ THRB P10828 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ AKT1 P31749 1/20 0.40
▸ RAF1 P04049 2/20 0.39
▸ BRAF P15056 2/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ CASR P41180 1/20 0.38

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
SCHEMBL12946845 0.94 TRPV4 (0.44) TRPV4LMNATHRBKMT2AMEN1
SCHEMBL10181357 0.92 TRPV4 (0.47) TRPV4KMT2AEPHX2CASR
SCHEMBL10180583 0.88 TRPV4 (0.42) TRPV4LMNATHRBKMT2AAKT1
SCHEMBL10180028 0.87 MAPK8 (0.45) TRPV4LMNATHRBKMT2ASMN1; SMN2
SCHEMBL12946848 0.86 TRPV4 (0.48) TRPV4LMNATHRBKMT2AMEN1
SCHEMBL10327385 0.86 LMNA (0.46) TRPV4LMNATHRBKMT2AAKT1
SCHEMBL3459112 0.84 HPGD (0.46) LMNATHRBKMT2AMEN1PKM
SCHEMBL964364 0.83 KMT2A (0.45) TRPV4LMNATHRBKMT2AMEN1
SCHEMBL3459382 0.83 HPGD (0.44) TRPV4LMNATHRBKMT2AMEN1
SCHEMBL964828 0.83 HPGD (0.44) TRPV4LMNATHRBKMT2AMEN1

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 claimed
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