SCHEMBL4417490

SCHEMBL4417490

Cc1ccc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1C1=CCON1Cc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TEK Q02763 4/20 0.46
MAPK14 Q16539 3/20 0.43
RAF1 P04049 11/20 0.40
BRAF P15056 11/20 0.39
CNR1 P21554 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
SCHEMBL4417398 0.86 TEK (0.54) TEKRAF1BRAF
SCHEMBL5604132 0.78 TEK (0.45) TEKMAPK14RAF1BRAF
SCHEMBL4417493 0.78 TEK (0.46) TEKMAPK14BRAF
SCHEMBL4725060 0.71 ALDH1A1 (0.46) TEKMAPK14RAF1BRAF
SCHEMBL4410077 0.70 MAPK14 (0.43) TEKMAPK14BRAF
SCHEMBL5593400 0.69 RAF1 (0.46) TEKRAF1BRAF
SCHEMBL4417829 0.68 TEK (0.45) TEKRAF1BRAF
SCHEMBL4419811 0.68 TEK (0.46) TEKRAF1BRAFCNR1
SCHEMBL4565827 0.68 TEK (0.46) TEKRAF1BRAF
SCHEMBL4565754 0.68 RAF1 (0.51) TEKRAF1BRAFCNR1

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
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