SCHEMBL1404789

SCHEMBL1404789

COc1c(NC(=O)c2ccc(C)c(-n3cc(OC(=O)NCC(C)(C)C)nn3)c2)cc(C(C)(C)C)cc1-n1ccnc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
ABL1 P00519 1/20 0.41
BRAF P15056 12/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 2/20 0.35
GPR142 Q7Z601 2/20 0.34

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
SCHEMBL1404669 0.92 BRAF (0.36) BRAFGPR142
SCHEMBL1378336 0.90 LMNA (0.45) LMNAABL1BRAFL3MBTL1CYP3A4
SCHEMBL1404811 0.89 BRAF (0.38) BRAFGPR142
SCHEMBL1404780 0.88 MEN1 (0.37) LMNABRAFGPR142
SCHEMBL1404768 0.88 ABL1 (0.38) ABL1BRAFGPR142
SCHEMBL1404576 0.87 BRAF (0.39) BRAF
SCHEMBL5779078 0.86 BRAF (0.37) BRAFGPR142
SCHEMBL1404902 0.85 BRAF (0.36) BRAFGPR142
SCHEMBL4471464 0.85 LMNA (0.46) LMNAABL1BRAFL3MBTL1CYP3A4
SCHEMBL1404647 0.84 BRAF (0.36) 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