SCHEMBL4417914

SCHEMBL4417914

Cc1ccc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1-c1cc(C(=O)N2CC3CCC(C2)O3)on1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TEK Q02763 3/20 0.43
RAF1 P04049 17/20 0.42
BRAF P15056 17/20 0.42

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
SCHEMBL5603042 0.86 TEK (0.44) TEKRAF1BRAF
SCHEMBL4413451 0.83 RAF1 (0.36) RAF1BRAF
SCHEMBL4408593 0.82 TEK (0.43) TEKRAF1BRAF
SCHEMBL4417829 0.82 TEK (0.45) TEKRAF1BRAF
SCHEMBL4419811 0.82 TEK (0.46) TEKRAF1BRAF
SCHEMBL4565754 0.81 RAF1 (0.51) TEKRAF1BRAF
SCHEMBL5593020 0.80 RAB9A (0.49) TEKRAF1BRAF
SCHEMBL4416983 0.78 RAB9A (0.41) TEKRAF1BRAF
SCHEMBL4565827 0.77 TEK (0.46) TEKRAF1BRAF
SCHEMBL5593016 0.76 TEK (0.53) TEKBRAF

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed