SCHEMBL860190

SCHEMBL860190

C[AsH]C1CN(c2cnnc(NCc3ccccc3)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA3 P34903 2/20 0.47
HRH4 Q9H3N8 11/20 0.43
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
CASP1 P29466 1/20 0.38
BLM P54132 1/20 0.38
PKM P14618 1/20 0.37
ACHE P22303 1/20 0.37
NOS2 P35228 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
HRH1 P35367 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 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
SCHEMBL1588090 0.86 GABRG2 (0.47) GABRG2GABRB3GABRA5GABRA3HRH4
SCHEMBL1588228 0.85 HRH4 (0.56) GABRG2GABRB3GABRA5GABRA3HRH4
SCHEMBL848992 0.80 HRH4 (0.65) GABRG2GABRB3GABRA5GABRA3HRH4
SCHEMBL846641 0.80 HRH4 (0.53) GABRG2GABRB3GABRA5GABRA3HRH4
SCHEMBL848112 0.79 HRH4 (0.70) HRH4
SCHEMBL846007 0.78 ACHE (0.54) GABRG2GABRB3GABRA5GABRA3HRH4
SCHEMBL1588725 0.72 HRH4 (0.48) HRH4ALDH1A1HPGD
SCHEMBL1588917 0.70 HRH4 (0.46) HRH4ACHEHRH1CHRNB4CHRNA3
SCHEMBL1588872 0.70 HRH4 (0.51) HRH4HPGD
SCHEMBL861161 0.70 HRH4 (0.48) GABRG2GABRB3GABRA5GABRA3HRH4

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
JP-2011524363-A 2011-09-01 JP claimed
EP-2315521-A1 DIAMINO-PYRIDINE, PYRIMIDINE, AND PYRIDAZINE MODULATORS OF THE HISTAMINE H 4 RECEPTOR Janssen Pharmaceutica NV (BE) 2011-05-04 EP claimed
WO-2009152325-A1 DIAMINO-PYRIDINE, PYRIMIDINE, AND PYRIDAZINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2009-12-17 WO claimed