SCHEMBL4727508

SCHEMBL4727508

COC(=O)c1cccc(-c2cc(NC(=O)c3cc(C#N)cc(C(C)(C)C)c3)cnc2C)c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 18/20 0.47
BRAF P15056 17/20 0.47
PLAU P00749 1/20 0.47
TEK Q02763 1/20 0.45

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
SCHEMBL4725698 0.91 RAF1 (0.48) RAF1BRAFTEK
SCHEMBL4726247 0.90 RAF1 (0.43) RAF1BRAFPLAUTEK
SCHEMBL4782747 0.89 RAF1 (0.46) RAF1BRAFTEK
SCHEMBL4728378 0.87 RAF1 (0.47) RAF1BRAFTEK
SCHEMBL4728321 0.84 TEK (0.45) RAF1BRAFTEK
SCHEMBL4725070 0.83 TEK (0.46) RAF1BRAFTEK
SCHEMBL4729472 0.80 RAB9A (0.44) RAF1BRAFTEK
SCHEMBL4728013 0.80 RAF1 (0.42) RAF1BRAFTEK
SCHEMBL4727623 0.80 NR1I2 (0.48) RAF1BRAFTEK
SCHEMBL4726798 0.79 RAF1 (0.42) RAF1BRAFTEK

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