SCHEMBL4417402

SCHEMBL4417402

Cc1ccc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1C1C=CON1Cc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TEK Q02763 14/20 0.54
BRAF P15056 3/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CSF1R P07333 1/20 0.40
DDR1 Q08345 1/20 0.39
DDR2 Q16832 1/20 0.39
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38

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
SCHEMBL4417493 0.86 TEK (0.46) TEKBRAF
SCHEMBL4417398 0.78 TEK (0.54) TEKBRAFMEN1KMT2ADDR1
SCHEMBL5592959 0.76 MAPK14 (0.53) BRAF
SCHEMBL5593016 0.73 TEK (0.53) TEKBRAFMEN1KMT2ADDR1
SCHEMBL5593403 0.70 TEK (0.44) TEKBRAFCSF1RDDR1DDR2
SCHEMBL15123210 0.70 TEK (1.00) TEK
SCHEMBL15123212 0.68 TEK (0.67) TEK
SCHEMBL4417490 0.65 TEK (0.46) TEKBRAF
SCHEMBL15123284 0.65 TEK (1.00) TEKDDR1DDR2
SCHEMBL5593449 0.64 CSF1R (0.57) BRAFCSF1R

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