SCHEMBL13620697

SCHEMBL13620697

CN(C)c1ccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AXL P30530 4/20 0.76
CDK8 P49336 1/20 0.76
TNIK Q9UKE5 1/20 0.76
MAPK8 P45983 1/20 0.73
MAPK9 P45984 1/20 0.73
MAPK10 P53779 1/20 0.73
NTRK1 P04629 2/20 0.67
SGK1 O00141 6/20 0.66
CAMKK2 Q96RR4 2/20 0.65
AAK1 Q2M2I8 1/20 0.62
KIT P10721 1/20 0.62
MAP3K11 Q16584 1/20 0.62
CLK1 P49759 1/20 0.60
DYRK1A Q13627 1/20 0.60
DYRK2 Q92630 1/20 0.60
DYRK1B Q9Y463 1/20 0.60

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
SCHEMBL8298162 0.88 MAPK8 (0.72) AXLCDK8TNIKMAPK8MAPK9
SCHEMBL12763531 0.88 NTRK1 (0.84) AXLCDK8TNIKMAPK8MAPK9
SCHEMBL8320902 0.88 MAPK8 (0.67) AXLCDK8TNIKMAPK8MAPK9
SCHEMBL8941685 0.87 AXL (1.00) AXLCDK8TNIKMAPK8NTRK1
SCHEMBL8256110 0.85 MAPK8 (0.64) AXLCDK8TNIKMAPK8MAPK9
SCHEMBL8258597 0.85 MAPK8 (0.70) AXLCDK8TNIKMAPK8MAPK9
SCHEMBL4406366 0.85 MAPK8 (1.00) AXLCDK8TNIKMAPK8MAPK9
SCHEMBL1487584 0.83 CDK8 (0.72) AXLCDK8TNIKMAPK8MAPK9
SCHEMBL13745264 0.83 CDK8 (0.72) AXLCDK8TNIKMAPK8MAPK9
SCHEMBL8319981 0.83 MAPK8 (0.67) AXLCDK8TNIKMAPK8MAPK9

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
US-7612086-B2 Jun N-terminal kinase inhibitors; 1H-pyrrolo[2,3-b]pyridines 3-substituted with a C 5-7 carbocycle and 5-substituted by a 5-member heterocycle; 3-(p-(dimethylamino)phenyl)-5-(2-thiazolyl-1H-pyrrolo[2,3-b]pyridine; neurodegenerative disorders related to apoptosis and/or inflammation EISAI R & D MANAGEMENT CO. LTD. (JP) 2009-11-03 US disclosed