SCHEMBL4640308

SCHEMBL4640308

Cc1c(NC2=NCCN2)ccc2ncn(C#N)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 12/20 0.57
ADRA2B P18089 11/20 0.57
ADRA2C P18825 11/20 0.57
ADRA1D P25100 11/20 0.57
ADRA1A P35348 11/20 0.57
ADRA1B P35368 10/20 0.57
KDM4E B2RXH2 1/20 0.45
NR1I2 O75469 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
BLM P54132 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL7032958 0.73 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7028091 0.73 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
Povafonidine SCHEMBL7033956 0.71 ADRA2A (0.64) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7028840 0.71 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6787690 0.70 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7031225 0.69 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7031218 0.68 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7035379 0.67 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7093733 0.67 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6579184 0.67 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A

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-1953146-B1 METHODS OF MAKING 6-[(4,5-DIHYDRO-1H-IMIDAZOL-2-YL) AMINO-]-7-METHYL-1H-BENZIMIDAZOLE-4-CARBONITRILE AND ITS PREFERRED SALT FORM UNIV NEBRASKA (US) 2014-04-30 EP disclosed
EP-1953146-A1 Methods of making 6-[(4,5-Dihydro-1H-imidazol-2-yl) amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form The Board of Regents of the University of Nebraska (US) 2008-08-06 EP disclosed