SCHEMBL17008487

SCHEMBL17008487

N#Cc1cncc(Nc2ccccn2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.49
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPK10 P53779 1/20 0.44
GFER P55789 1/20 0.44
CHEK1 O14757 1/20 0.42
LRRK2 Q5S007 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALOX15 P16050 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TYK2 P29597 1/20 0.40
TP53 P04637 3/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL14939055 0.78 CHEK1 (0.63) KDRKMT2AMEN1MAPK10GFER
SCHEMBL3146801 0.76 CDK2 (0.62) KDRKMT2AMEN1MAPK10GFER
SCHEMBL3128890 0.74 MECP2 (0.53) KDRKMT2AMEN1MAPK10GFER
Water SCHEMBL28126483 0.73 KMT2A (0.70) KDRKMT2AMEN1MAPK10GFER
SCHEMBL221242 0.73 KMT2A (0.76) KDRKMT2AMEN1MAPK10GFER
SCHEMBL29391624 0.73 KMT2A (0.76) KDRKMT2AMEN1MAPK10GFER
SCHEMBL31754524 0.72 KDM4E (0.48) KMT2AMEN1CHEK1NPC1RAB9A
SCHEMBL618299 0.72 KMT2A (0.57) KDRKMT2AMEN1MAPK10GFER
SCHEMBL30206142 0.72 KMT2A (0.57) KDRKMT2AMEN1MAPK10GFER
SCHEMBL4243882 0.71 KMT2A (0.73) KDRKMT2AMEN1MAPK10GFER

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-3105223-A1 PYRAZOLYL-UREAS AS KINASE INHIBITORS Respivert Limited (GB) 2016-12-21 EP disclosed
WO-2015121660-A1 PYRAZOLYL-UREAS AS KINASE INHIBITORS RESPIVERT LIMITED (GB) 2015-08-20 WO disclosed