SCHEMBL14404257

SCHEMBL14404257

CNc1cccc(C(=O)Nc2n[nH]c3ccc(Nc4ccnc(N)n4)cc23)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.53
MAPKAPK2 P49137 6/20 0.51
ULK1 O75385 1/20 0.46
DNMT1 P26358 2/20 0.46
EHMT1 Q9H9B1 2/20 0.46
DNMT3L Q9UJW3 2/20 0.46
DNMT3A Q9Y6K1 2/20 0.46
JAK2 O60674 2/20 0.45
JAK1 P23458 2/20 0.45
ROCK2 O75116 1/20 0.44
LYN P07948 1/20 0.42
TXK P42681 1/20 0.42
SYK P43405 1/20 0.42
BTK Q06187 1/20 0.42
LRRK2 Q5S007 1/20 0.42

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
SCHEMBL10269739 0.89 MAPKAPK2 (0.58) ROCK1MAPKAPK2ULK1JAK2JAK1
SCHEMBL10269232 0.88 ROCK1 (0.57) ROCK1MAPKAPK2ULK1JAK2ROCK2
SCHEMBL10269234 0.88 MAPKAPK2 (0.49) ROCK1MAPKAPK2ULK1DNMT1EHMT1
SCHEMBL10269411 0.80 ROCK1 (0.55) ROCK1MAPKAPK2ULK1DNMT1EHMT1
SCHEMBL10214706 0.79 MAPKAPK2 (0.64) ROCK1MAPKAPK2ULK1JAK2JAK1
SCHEMBL10269340 0.77 MAPKAPK2 (0.60) ROCK1MAPKAPK2JAK2JAK1LRRK2
SCHEMBL10269198 0.77 FLT3 (0.60) ROCK1MAPKAPK2ULK1LRRK2
SCHEMBL758447 0.77 ROCK1 (0.56) ROCK1MAPKAPK2
SCHEMBL10214704 0.76 MAPKAPK2 (0.64) ROCK1MAPKAPK2LRRK2
SCHEMBL10269613 0.76 MAPKAPK2 (0.54) ROCK1MAPKAPK2ULK1JAK2JAK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117465-A2 INDAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2007-10-18 WO disclosed