SCHEMBL4412491

SCHEMBL4412491

Cc1ccc(NC(=O)c2cc(CN3CCCCC3)cc(C(C)(C)C)c2)cc1-c1cc(C(=O)NCc2cccnc2)on1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 4/20 0.57
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
BRAF P15056 3/20 0.44
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
CSF1R P07333 2/20 0.42
RAF1 P04049 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
ACKR3 P25106 1/20 0.41
EGFR P00533 1/20 0.41
LCK P06239 1/20 0.41
KDR P35968 1/20 0.41
ERBB4 Q15303 1/20 0.41
MAPK14 Q16539 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
SCHEMBL5593313 0.94 TEK (0.52) TEKMEN1KMT2ABRAFABL1
SCHEMBL14473151 0.94 TEK (0.52) TEKMEN1KMT2ABRAFABL1
SCHEMBL4410250 0.93 TEK (0.51) TEKMEN1KMT2ABRAFABL1
SCHEMBL4417393 0.87 TEK (0.50) TEKKMT2ABRAFCSF1RRAF1
SCHEMBL4417623 0.86 TEK (0.51) TEKBRAFCSF1RRAF1EGFR
SCHEMBL4420790 0.85 MEN1 (0.55) TEKMEN1KMT2ABRAFCSF1R
SCHEMBL14473153 0.85 TEK (0.53) TEKKMT2ABRAFCSF1RRAF1
SCHEMBL5593016 0.84 TEK (0.53) TEKMEN1KMT2ABRAFLMNA
SCHEMBL5603184 0.84 ABL1 (0.40) TEKMEN1KMT2ABRAFABL1
SCHEMBL4412830 0.84 RAF1 (0.52) TEKBRAFCSF1RRAF1MAPK14

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