SCHEMBL4565754

SCHEMBL4565754

Cc1ccc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1-c1cc(C(=O)NN2CCOCC2)on1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 18/20 0.51
BRAF P15056 17/20 0.51
CNR1 P21554 1/20 0.45
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
SCHEMBL4419811 0.93 TEK (0.46) RAF1BRAFCNR1TEK
SCHEMBL14473020 0.88 RAF1 (0.53) RAF1BRAF
SCHEMBL5593311 0.88 RAF1 (0.46) RAF1BRAF
SCHEMBL4417829 0.84 TEK (0.45) RAF1BRAFTEK
SCHEMBL4408593 0.83 TEK (0.43) RAF1BRAFTEK
SCHEMBL5603042 0.82 TEK (0.44) RAF1BRAFTEK
SCHEMBL5593352 0.82 RAF1 (0.41) RAF1BRAF
SCHEMBL5593020 0.82 RAB9A (0.49) RAF1BRAFTEK
SCHEMBL4412693 0.81 RAF1 (0.49) RAF1BRAF
SCHEMBL4417914 0.81 TEK (0.43) 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 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