SCHEMBL4485847

SCHEMBL4485847

COc1c(NC(=O)c2ccc(C)c(-n3cnc(C(=O)NCc4cccnc4)c3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL5201418 0.92 BRAF (0.41) BRAF
Picolamine SCHEMBL5176640 0.89 BRAF (0.45) BRAF
SCHEMBL6808232 0.88 BRAF (0.45) BRAFMEN1KMT2AALDH1A1LMNA
SCHEMBL13935932 0.87 BRAF (0.51) BRAF
SCHEMBL13935921 0.86 MEN1 (0.46) BRAFMEN1KMT2AALDH1A1LMNA
SCHEMBL303803 0.86 BRAF (0.51) BRAF
Niacinamide SCHEMBL5176632 0.85 BRAF (0.46) BRAF
SCHEMBL4479405 0.85 BRAF (0.54) BRAF
SCHEMBL13935944 0.84 BRAF (0.48) BRAF
SCHEMBL4485901 0.84 BRAF (0.51) BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485657-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
US-7485657-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
US-7485657-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
EP-1756065-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-02-28 EP disclosed
WO-2005115991-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-12-08 WO disclosed