SCHEMBL4780132

SCHEMBL4780132

Cc1ncc(NC(=O)c2cc(CN3CCOCC3)cc(C(C)(C)C)c2)cc1-n1cc(C(=O)NCC(C)(C)C)nn1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 14/20 0.40
BRAF P15056 14/20 0.40
TEK Q02763 2/20 0.39
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
DDR1 Q08345 1/20 0.37
DDR2 Q16832 1/20 0.37

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
SCHEMBL4780120 0.90 DDR1 (0.35) BRAFABL1BCRHIF1AEPAS1
SCHEMBL4781343 0.83 BRAF (0.53) RAF1BRAF
SCHEMBL4779088 0.82 DDR2 (0.38) BRAFABL1BCRDDR1DDR2
SCHEMBL4778561 0.82 DDT (0.45)
SCHEMBL4782663 0.81 MAPK14 (0.38)
SCHEMBL4779210 0.81 TEK (0.41) RAF1BRAFTEK
SCHEMBL4728307 0.81 RAF1 (0.45) RAF1BRAF
SCHEMBL4728240 0.81 RAF1 (0.49) RAF1BRAF
SCHEMBL4784000 0.80 DDT (0.34) RAF1BRAF
SCHEMBL4782092 0.79 BRAF (0.34) RAF1BRAF

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
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed