SCHEMBL4350751

SCHEMBL4350751

O=C(Cc1ccccc1)Nc1cnc2[nH]ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.60
CDK8 P49336 6/20 0.53
EPHX2 P34913 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
NAMPT P43490 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ROCK1 Q13464 2/20 0.49
PKN2 Q16513 2/20 0.49
JAK2 O60674 1/20 0.49
MAP4K4 O95819 1/20 0.49

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
SCHEMBL28268292 0.82 CDK8 (0.70) ROCK2CDK8ROCK1PKN2MAP4K4
SCHEMBL3502492 0.81 ROCK2 (0.63) ROCK2POLBROCK1PKN2JAK2
SCHEMBL1370777 0.81 CDK8 (0.56) ROCK2CDK8EPHX2NPC1RAB9A
SCHEMBL3499511 0.80 KIT (0.61) ROCK2CDK8ROCK1PKN2MAP4K4
SCHEMBL29429732 0.80 KDR (0.63) ROCK2CDK8HDAC6NPC1RAB9A
SCHEMBL4128043 0.80 KDR (0.63) ROCK2CDK8HDAC6NPC1RAB9A
SCHEMBL28188767 0.80 HDAC1 (0.67) EPHX2MEN1KMT2AHDAC3HDAC4
SCHEMBL16085415 0.79 BTK (0.65) ROCK2CDK8KMT2AROCK1PKN2
SCHEMBL12969365 0.78 ROCK2 (0.70) ROCK2EPHX2L3MBTL1NAMPTMEN1
SCHEMBL896506 0.76 KIT (0.49) CDK8MEN1KMT2AHSD17B10AXL

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-2070928-A1 7-azaindol-3-ylacrylamides active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-06-17 EP disclosed
EP-2070928-A1 7-azaindol-3-ylacrylamides active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-06-17 EP disclosed