SCHEMBL4565827

SCHEMBL4565827

Cc1ccc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1-c1cc(C(=O)N(C)Cc2ccccc2)on1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TEK Q02763 5/20 0.46
RAF1 P04049 11/20 0.39
BRAF P15056 11/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPBAR1 Q8TDU6 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
SCHEMBL14473012 0.88 ALDH1A1 (0.40) RAF1BRAFALDH1A1SMN1; SMN2
SCHEMBL4409883 0.83 MAPK14 (0.36) RAF1BRAFALDH1A1SMN1; SMN2
SCHEMBL4417829 0.83 TEK (0.45) TEKRAF1BRAF
SCHEMBL5604132 0.81 TEK (0.45) TEKRAF1BRAFALDH1A1SMN1; SMN2
SCHEMBL5593016 0.81 TEK (0.53) TEKBRAFALDH1A1SMN1; SMN2
SCHEMBL4408593 0.80 TEK (0.43) TEKRAF1BRAF
SCHEMBL4419811 0.79 TEK (0.46) TEKRAF1BRAF
SCHEMBL4565754 0.79 RAF1 (0.51) TEKRAF1BRAF
SCHEMBL5603042 0.78 TEK (0.44) TEKRAF1BRAF
SCHEMBL5593020 0.78 RAB9A (0.49) TEKRAF1BRAFALDH1A1SMN1; SMN2

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