SCHEMBL10181159

SCHEMBL10181159

COc1nc(N)nc([C@](N)(CN2CCOCC2)C(=O)Nc2cccc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 11/20 0.45
▸ THRB P10828 1/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ AR P10275 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LCK P06239 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ RAF1 P04049 1/20 0.40
▸ BRAF P15056 1/20 0.40

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
SCHEMBL10181136 0.93 MAPK8 (0.47) TRPV4THRBEPHX2ARLMNA
SCHEMBL10180940 0.89 TRPV4 (0.45) TRPV4THRBEPHX2ARLMNA
SCHEMBL10181160 0.86 TRPV4 (0.42) TRPV4THRBEPHX2ARLMNA
SCHEMBL10182155 0.85 TRPV4 (0.48) TRPV4THRBEPHX2KMT2AMEN1
SCHEMBL966376 0.84 MAPT (0.42) LMNAKMT2AMEN1RAF1
SCHEMBL10180610 0.82 TRPV4 (0.49) TRPV4THRBEPHX2LMNAKMT2A
SCHEMBL12946857 0.80 TRPV4 (0.44) TRPV4THRBEPHX2LMNAKMT2A
SCHEMBL964428 0.79 SMN1; SMN2 (0.42) KMT2AMEN1
SCHEMBL10180583 0.79 TRPV4 (0.42) TRPV4THRBEPHX2LMNAKMT2A
SCHEMBL10181137 0.79 MAPK8 (0.45) TRPV4THRBEPHX2LMNAKMT2A

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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