SCHEMBL1404576

SCHEMBL1404576

COc1cc(C(C)(C)C)cc(NC(=O)c2ccc(C)c(-n3cc(OC(=O)NCC(C)(C)C)nn3)c2)c1OC

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 15/20 0.39
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR1I2 O75469 3/20 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
SCHEMBL1404811 0.94 BRAF (0.38) BRAFNR1I2
SCHEMBL5779078 0.92 BRAF (0.37) BRAFNR1I2
SCHEMBL1404902 0.90 BRAF (0.36) BRAF
SCHEMBL1404669 0.90 BRAF (0.36) BRAF
SCHEMBL1404662 0.90 MAPK14 (0.38) BRAF
SCHEMBL1404647 0.90 BRAF (0.36) BRAF
SCHEMBL1404758 0.89 BRAF (0.37) BRAF
SCHEMBL1404961 0.89 BRAF (0.36) BRAF
SCHEMBL1404725 0.88 BRAF (0.38) BRAF
SCHEMBL1380031 0.88 TUBB4A (0.41) BRAFTP53MAPTSMN1; SMN2NR1I2

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-1692116-B1 1,2,3-TRIAZOLE AMIDE DERIVATIVES AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMA (US) 2011-03-09 EP claimed