SCHEMBL6662458

SCHEMBL6662458

Clc1ccccc1Nc1cnccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
HPGD P15428 2/20 0.55
HSD17B10 Q99714 1/20 0.55
MCL1 Q07820 1/20 0.54
JAK2 O60674 2/20 0.47
JAK1 P23458 2/20 0.47
TYK2 P29597 2/20 0.47
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
MAPK10 P53779 1/20 0.46
GFER P55789 1/20 0.46
KDR P35968 1/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
MIF P14174 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL7985717 0.79 KMT2A (0.73) KDM4EHPGDHSD17B10JAK2JAK1
SCHEMBL28045808 0.79 MAPK10 (0.60) KDM4EHPGDHSD17B10KMT2AMEN1
SCHEMBL10094592 0.79 MAPK10 (0.60) KDM4EHPGDHSD17B10PTGS1PTGS2
SCHEMBL28864027 0.78 KMT2A (0.70) KDM4EHPGDHSD17B10JAK2JAK1
SCHEMBL24181594 0.77 KDM4E (0.48) KDM4EHPGDHSD17B10MCL1JAK2
SCHEMBL29603900 0.77 KDM4E (0.48) KDM4EHPGDHSD17B10MCL1JAK2
SCHEMBL24388805 0.77 KDM4E (0.48) KDM4EHPGDHSD17B10JAK2JAK1
SCHEMBL27420834 0.76 SMN1; SMN2 (0.55) KDM4EHPGDHSD17B10KMT2AMEN1
SCHEMBL27564107 0.75 JAK2 (0.46) HPGDJAK2JAK1TYK2PTGS1
SCHEMBL10094184 0.75 HPGD (0.48) KDM4EHPGDHSD17B10KMT2AMEN1

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
CN-100465173-C Selective kinase inhibitors CYTOPIA RES PTY LTD (AU) 2009-03-04 CN disclosed
CN-1906190-A Selective kinase inhibitors CYTOPIA RES PTY LTD (AU) 2007-01-31 CN disclosed
WO-2004004730-A2 2-AMINOPYRAZINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTEX TECHNOLOGY LIMITED (GB) 2004-01-15 WO disclosed