SCHEMBL4725698

SCHEMBL4725698

Cc1ncc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1-c1cccc(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 14/20 0.48
BRAF P15056 14/20 0.48
TEK Q02763 4/20 0.48
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL4727508 0.91 RAF1 (0.47) RAF1BRAFTEK
SCHEMBL4782747 0.90 RAF1 (0.46) RAF1BRAFTEK
SCHEMBL4725070 0.90 TEK (0.46) RAF1BRAFTEK
SCHEMBL4728378 0.89 RAF1 (0.47) RAF1BRAFTEK
SCHEMBL4728321 0.85 TEK (0.45) RAF1BRAFTEK
SCHEMBL4726247 0.83 RAF1 (0.43) RAF1BRAFTEK
SCHEMBL4729472 0.82 RAB9A (0.44) RAF1BRAFTEKNR1H4
SCHEMBL5483879 0.81 TEK (0.46) BRAFTEKNR1H4
SCHEMBL4728324 0.81 EGFR (0.48) RAF1BRAFTEK
SCHEMBL4726798 0.80 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