SCHEMBL4417398

SCHEMBL4417398

Cc1ccc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1C1=CCON1Cc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TEK Q02763 10/20 0.54
BRAF P15056 3/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NAMPT P43490 1/20 0.40
DDR1 Q08345 1/20 0.40
DDR2 Q16832 1/20 0.40
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39
RAF1 P04049 1/20 0.39

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
SCHEMBL4417490 0.86 TEK (0.46) TEKBRAFRAF1
SCHEMBL5593368 0.81 GAA (0.43) BRAFMEN1KMT2ANPC1RAB9A
SCHEMBL5593016 0.79 TEK (0.53) TEKBRAFMEN1KMT2ANAMPT
SCHEMBL4417402 0.78 TEK (0.54) TEKBRAFMEN1KMT2ADDR1
SCHEMBL5592958 0.77 MAPK14 (0.54) BRAFRAF1
SCHEMBL5593400 0.70 RAF1 (0.46) TEKBRAFHIF1AEPAS1NPC1
SCHEMBL15123210 0.70 TEK (1.00) TEK
SCHEMBL4417829 0.69 TEK (0.45) TEKBRAFRAF1
SCHEMBL4419811 0.69 TEK (0.46) TEKBRAFRAF1
SCHEMBL4565827 0.69 TEK (0.46) TEKBRAFRAF1

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