SCHEMBL1665083

SCHEMBL1665083

O=C(Nc1ccc(-n2ncc3cc(Nc4ccc(F)cc4)ccc32)cc1)c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.52
MAPK1 P28482 2/20 0.49
CCNT1 O60563 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
CDK9 P50750 1/20 0.49
MAPK8 P45983 3/20 0.49
MAPK10 P53779 3/20 0.49
MAOB P27338 1/20 0.48
CRACR2A Q9BSW2 2/20 0.47
NR3C1 P04150 5/20 0.47
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL1665085 0.94 SMO (0.53) SMOMAPK1MAPK8MAPK10MAOB
SCHEMBL1665249 0.90 SMO (0.54) SMOMAPK1MAPK8MAPK10MAOB
SCHEMBL1665395 0.89 SMO (0.51) SMOMAPK1MAPK8MAPK10MAOB
SCHEMBL1665254 0.84 SMO (0.57) SMOMAPK8MAPK10MAOBNR3C1
SCHEMBL1666461 0.84 MAPT (0.50) MAPK8MAPK10MAOBCRACR2AGAA
SCHEMBL13964701 0.83 MAOB (0.54) SMOMAPK8MAPK10MAOBGAA
SCHEMBL1665396 0.83 SMO (0.53) SMOMAPK8MAPK10MAOBNR3C1
SCHEMBL1663552 0.83 MEN1 (0.47) SMOMAPK8MAPK10NR3C1MEN1
SCHEMBL27937046 0.82 MAOB (0.58) SMOMAOBNR3C1MEN1KMT2A
SCHEMBL1664622 0.82 SMO (0.54) SMOMAPK8MAPK10MAOBNR3C1

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-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed