SCHEMBL1404780

SCHEMBL1404780

COc1c(NC(=O)c2ccc(C)c(-n3cc(OC(=O)NCC(C)(C)C)nn3)c2)cc(C(C)(C)C)cc1-n1cccn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
BRAF P15056 11/20 0.35
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
GPR142 Q7Z601 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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 0.90 BRAF (0.38) BRAFGPR142
SCHEMBL1384815 0.89 MEN1 (0.38) MEN1ALDH1A1MAPTKMT2ABRAF
SCHEMBL1404768 0.89 ABL1 (0.38) ALDH1A1MAPTBRAFGPR142CYP1A2
SCHEMBL1404789 0.88 LMNA (0.43) BRAFLMNAGPR142
SCHEMBL1404669 0.88 BRAF (0.36) BRAFGPR142
SCHEMBL1404576 0.88 BRAF (0.39) MAPTBRAF
SCHEMBL5779078 0.87 BRAF (0.37) BRAFGPR142
SCHEMBL1404902 0.86 BRAF (0.36) BRAFGPR142
SCHEMBL1404647 0.85 BRAF (0.36) BRAF
SCHEMBL1404662 0.85 MAPK14 (0.38) 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 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