SCHEMBL9690969

SCHEMBL9690969

Cc1cnn2c(-c3cccc(C(F)(F)F)c3)nnc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
HSD17B10 Q99714 3/20 0.54
PIM1 P11309 11/20 0.53
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 2/20 0.51
HPGD P15428 2/20 0.51
CYP3A4 P08684 1/20 0.51
GABRA1 P14867 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
GABRA2 P47869 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
FLT3 P36888 2/20 0.48
GSK3B P49841 2/20 0.48
JAK2 O60674 1/20 0.48
CDK2 P24941 1/20 0.48
JAK3 P52333 1/20 0.48
PRKCQ Q04759 1/20 0.48

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
SCHEMBL9689111 0.79 KDM4E (0.46) KDM4EHSD17B10PIM1HPGDGABRA1
SCHEMBL9690110 0.75 MAPT (0.43) KDM4EHSD17B10PIM1ALDH1A1CYP1A2
SCHEMBL32664904 0.73 CDK2 (0.63) KDM4EHSD17B10PIM1ALDH1A1CYP1A2
SCHEMBL10836184 0.73 KDM4E (0.53) KDM4EHSD17B10ALDH1A1CYP1A2HPGD
SCHEMBL1665000 0.71 CYP1A2 (0.44) KDM4EHSD17B10ALDH1A1CYP1A2HPGD
SCHEMBL9691180 0.71 HPGD (0.56) KDM4EHSD17B10ALDH1A1CYP1A2HPGD
SCHEMBL14077013 0.71 KDM4E (0.55) KDM4EHSD17B10PIM1ALDH1A1CYP1A2
SCHEMBL2662898 0.70 PTPN5 (0.62) KDM4EHSD17B10ALDH1A1
SCHEMBL11621539 0.70 KDM4E (0.68) KDM4EHSD17B10PIM1ALDH1A1CYP1A2
SCHEMBL9689092 0.69 GABRA1 (0.37) KDM4EHSD17B10ALDH1A1CYP1A2HPGD

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
CN-1060843-A TRIAZOLOPYRIDAZINE DERIVATES RHONE POULENC AGROCHIMIE (FR) 1992-05-06 CN disclosed
EP-0483027-A2 Triazolopyridazines, methods for their preparation, their use as herbicides and intermediates RHONE-POULENC AGROCHIMIE (FR) 1992-04-29 EP disclosed