SCHEMBL274088

SCHEMBL274088

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1COc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.47
BRAF P15056 3/20 0.44
CDK1 P06493 2/20 0.44
IGF1R P08069 2/20 0.44
FGFR1 P11362 2/20 0.44
FGFR2 P21802 2/20 0.44
FGFR4 P22455 2/20 0.44
FGFR3 P22607 2/20 0.44
JAK1 P23458 2/20 0.44
CDK2 P24941 2/20 0.44
AXL P30530 2/20 0.44
CDK5 Q00535 2/20 0.44
PTK2B Q14289 2/20 0.44
MAPK14 Q16539 1/20 0.44
HTT P42858 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44

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
SCHEMBL2437389 0.90 GRM4 (0.41) MAPTALDH1A1LMNASMN1; SMN2FAAH
SCHEMBL2435834 0.85 PPIA (0.48) BRAFHTTKMT2AMEN1MAPT
SCHEMBL273501 0.83 TRPV1 (0.52) GRIN2BHTTKMT2AMEN1NPSR1
SCHEMBL273466 0.79 KDR (0.54) BRAFFGFR1FGFR2FGFR3CDK2
SCHEMBL3790500 0.78 KDR (0.64) BRAFMAPK14TRPV1KDR
SCHEMBL2708220 0.76 MAOB (0.53) NPSR1ALDH1A1SMN1; SMN2FAAH
SCHEMBL274235 0.76 KDR (0.51) BRAFFGFR1FGFR2FGFR3CDK2
SCHEMBL273474 0.75 TRPV1 (0.57) BRAFTRPV1KDR
SCHEMBL2434309 0.72 KDR (0.50) BRAFKDR
SCHEMBL2437298 0.72 AR (0.41) BRAFMAPTGRM4TRPV1KDR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133886-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2012-03-13 US disclosed
EP-2371822-A1 Heterobicyclic carboxamides as inhibitors for kinases Novartis AG (CH) 2011-10-05 EP disclosed