SCHEMBL10180583

SCHEMBL10180583

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 11/20 0.42
▸ THRB P10828 1/20 0.41
▸ LCK P06239 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SLC6A2 P23975 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ RAF1 P04049 1/20 0.39
▸ BRAF P15056 1/20 0.39

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
SCHEMBL12946857 0.94 TRPV4 (0.44) TRPV4THRBLCKKDREPHX2
SCHEMBL10180028 0.93 MAPK8 (0.45) TRPV4THRBEPHX2AKT1LMNA
SCHEMBL10180493 0.88 TRPV4 (0.42) TRPV4THRBEPHX2AKT1LMNA
SCHEMBL12946985 0.87 MAPK8 (0.45) TRPV4THRBLCKKDREPHX2
SCHEMBL10327267 0.86 LMNA (0.46) TRPV4THRBLCKKDREPHX2
SCHEMBL10181524 0.85 TRPV4 (0.46) TRPV4EPHX2KMT2ASLC6A2HTR2A
SCHEMBL3460495 0.84 KDM4E (0.38) LMNAKMT2A
SCHEMBL12946845 0.83 TRPV4 (0.44) TRPV4THRBEPHX2AKT1LMNA
SCHEMBL3460056 0.82 SMN1; SMN2 (0.40) LMNAKMT2ABRAF
SCHEMBL10181357 0.80 TRPV4 (0.47) TRPV4EPHX2KMT2AKCNH2

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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