SCHEMBL2437298

SCHEMBL2437298

O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1COc2cc(O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.41
GRM4 Q14833 1/20 0.41
CDK8 P49336 1/20 0.38
TRPV1 Q8NER1 4/20 0.38
THRB P10828 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
RORC P51449 2/20 0.37
AKT1 P31749 1/20 0.36
UBE2M P61081 2/20 0.36
DCUN1D1 Q96GG9 2/20 0.36
BRAF P15056 2/20 0.36
KDR P35968 2/20 0.36
BLM P54132 1/20 0.36
WRN Q14191 1/20 0.36

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
SCHEMBL273501 0.88 TRPV1 (0.52) TRPV1MAPTKDR
SCHEMBL2437389 0.83 GRM4 (0.41) ARGRM4CDK8MAPTRORC
SCHEMBL2435262 0.81 TRPV1 (0.48) TRPV1TP53MAPT
SCHEMBL2434309 0.79 KDR (0.50) BRAFKDR
SCHEMBL2435966 0.78 KDR (0.57) CDK8BRAFKDR
SCHEMBL2434370 0.77 KDR (0.59) CDK8BRAFKDR
SCHEMBL2434130 0.77 KDR (0.45) CDK8RORCBRAFKDR
SCHEMBL274088 0.72 GRIN2B (0.47) GRM4TRPV1MAPTBRAFKDR
SCHEMBL18615565 0.72 KDR (0.47) CDK8THRBTP53POLBMAPT
SCHEMBL282336 0.70 AR (0.62) ARGRM4CDK8TRPV1BRAF

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
US-8026247-B2 Bicyclic amides as kinase inhibitors NOVARTIS AG (CH) 2011-09-27 US disclosed