SCHEMBL166629

SCHEMBL166629

NC(=O)c1n[nH]c(-c2ccc(F)cc2)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.39
MAPK14 Q16539 4/20 0.37
GAK O14976 1/20 0.36
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
FLT3 P36888 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MARK1 Q9P0L2 1/20 0.36
STK17A Q9UEE5 1/20 0.36
DCAF1 Q9Y4B6 1/20 0.36
IDO1 P14902 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK13 O15264 1/20 0.36
RIPK2 O43353 1/20 0.36
GMNN O75496 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL22609379 0.86 MAPT (0.40) CDC7IDO1MEN1ALDH1A1LMNA
SCHEMBL22609364 0.84 PRKAB2 (0.38) CDC7MEN1ALDH1A1MAPTKMT2A
SCHEMBL22609500 0.82 ABCC8 (0.36) CDC7PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL22609396 0.80 MAPT (0.34) CDC7MKNK2ALDH1A1LMNAMAPT
SCHEMBL22609420 0.76 ABCC8 (0.32) ABCC8KCNJ11
SCHEMBL168203 0.73 TUBB4A (0.43) CDC7MAPK14GAKPDGFRBKIT
SCHEMBL167755 0.73 IRAK4 (0.39) CDC7MAPK14GAKPDGFRBKIT
SCHEMBL2911881 0.69 KDM4E (0.34) ALDH1A1LMNAMAPTMAPK1RAB9A
SCHEMBL8694104 0.69 TRPV1 (0.42) MAPK14CA1CA2CA4CA9
SCHEMBL22609407 0.68 MEN1 (0.37) MEN1ALDH1A1LMNATP53KMT2A

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-2609091-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS Lead Discovery Center GmbH (DE) 2013-07-03 EP disclosed
WO-2012028332-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2012-03-08 WO disclosed