SCHEMBL10327319

SCHEMBL10327319

CCOc1nc(N)nc(N[C@@H](CN2CCOCC2)C(=O)Nc2cccc(C(F)(F)F)c2)c1N

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 6/20 0.45
▸ BRAF P15056 6/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ THRB P10828 1/20 0.44
▸ TRPV4 Q9HBA0 4/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ SLC6A2 P23975 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 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
SCHEMBL10327267 0.92 LMNA (0.46) RAF1BRAFEPHX2LMNATHRB
SCHEMBL12946985 0.91 MAPK8 (0.45) RAF1BRAFEPHX2LMNATHRB
SCHEMBL10180028 0.86 MAPK8 (0.45) RAF1BRAFEPHX2LMNATHRB
SCHEMBL10327385 0.86 LMNA (0.46) RAF1BRAFEPHX2LMNATHRB
SCHEMBL10327373 0.85 LMNA (0.46) RAF1BRAFEPHX2LMNATHRB
SCHEMBL12946857 0.84 TRPV4 (0.44) RAF1BRAFEPHX2LMNATHRB
SCHEMBL10327326 0.83 HDAC4 (0.42) TRPV4KMT2AGAALCKKDR
SCHEMBL12946852 0.82 TRPV4 (0.47) RAF1BRAFEPHX2TRPV4KMT2A
SCHEMBL10327440 0.82 HDAC4 (0.43) TRPV4KMT2AGAALCKKDR
SCHEMBL10327528 0.81 TRPV4 (0.41) TRPV4KMT2AGAALCKKDR

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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