SCHEMBL4414872

SCHEMBL4414872

COc1ccc(NC(=O)c2cc(NC(=O)c3cc(C#N)cc(C(C)(C)C)c3)cnc2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.49
NR1I2 O75469 1/20 0.47
TP53 P04637 2/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 1/20 0.44
TEK Q02763 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.42
MAPK14 Q16539 1/20 0.42
CYP2C9 P11712 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL5482540 0.88 RAB9A (0.48) BRAFLMNATEKSIRT2MAPK14
SCHEMBL4417839 0.87 MAPK14 (0.45) BRAFTEKSIRT2MAPK14NPC1
SCHEMBL4410077 0.86 MAPK14 (0.43) BRAFTEKNR1H4MAPK14SMN1; SMN2
SCHEMBL5483879 0.84 TEK (0.46) BRAFNR1I2TEKNR1H4CYP2C9
SCHEMBL4727623 0.84 NR1I2 (0.48) BRAFNR1I2TP53TEKMAPK14
SCHEMBL4413445 0.83 LMNA (0.44) BRAFTP53LMNAGAATSHR
SCHEMBL4412446 0.83 KDR (0.41) BRAFTEKNR1H4CYP2C9
SCHEMBL4410252 0.83 BRAF (0.46) BRAFTEKCYP2C9
SCHEMBL4411284 0.82 KCNQ3 (0.46) BRAFTEKMAPK14CYP2C9
SCHEMBL5488046 0.81 BRAF (0.44) BRAFTEKNR1H4CYP2C9

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-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed