SCHEMBL4541190

SCHEMBL4541190

CC(C)(C)Cc1n[nH]c(-c2ccc3[nH]nc(-c4ccc5cc(C(=O)NCCN6CCCC6)ccc5c4)c3c2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 4/20 0.46
DYRK1A Q13627 4/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PARP1 P09874 1/20 0.42
IGF1R P08069 1/20 0.42
HTR1A P08908 4/20 0.42
HTR3A P46098 1/20 0.42
FLT3 P36888 2/20 0.41
TLR9 Q9NR96 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
HTR6 P50406 2/20 0.41
TLR8 Q9NR97 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD2 P14416 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
SCHEMBL13811897 0.86 CSNK1D (0.51) WNT1DYRK1AMEN1KMT2APARP1
SCHEMBL4080138 0.84 CSNK1D (0.42) WNT1DYRK1AFLT3
SCHEMBL4176018 0.82 MAP2K4 (0.47) DYRK1A
SCHEMBL13812053 0.81 KDM4E (0.57) WNT1DYRK1APARP1HTR1AHTR3A
SCHEMBL8252476 0.80 DYRK1A (0.51) WNT1DYRK1AMEN1KMT2APARP1
Hydrochloric Acid SCHEMBL4314527 0.79 GLA (0.48) WNT1DYRK1AMEN1KMT2APARP1
SCHEMBL5817740 0.78 CSNK1D (0.46) WNT1DYRK1A
SCHEMBL4179665 0.77 CSNK1D (0.46) WNT1DYRK1A
SCHEMBL4083131 0.76 CSNK1D (0.45) WNT1DYRK1AFLT3
SCHEMBL17801084 0.76 ALDH1A1 (0.61) WNT1DYRK1AMEN1KMT2APARP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2065383-A1 Indazole compounds and methods of use thereof as protein kinase inhibitors Signal Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed