SCHEMBL3537388

SCHEMBL3537388

O=C(c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1)N1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.67
IGF1R P08069 5/20 0.67
KCNH2 Q12809 2/20 0.53
CDK1 P06493 3/20 0.51
CDK4 P11802 2/20 0.51
PLK4 O00444 1/20 0.51
BTK Q06187 1/20 0.51
MAPK8 P45983 2/20 0.50
MAPK9 P45984 2/20 0.50
MAPK10 P53779 2/20 0.50
JAK2 O60674 1/20 0.50
LRRK2 Q5S007 1/20 0.50
JUN P05412 1/20 0.50
SLC2A1 P11166 1/20 0.49
IKBKB O14920 1/20 0.49
CHUK O15111 1/20 0.49
IKBKG Q9Y6K9 1/20 0.49
KIT P10721 1/20 0.49
FLT3 P36888 1/20 0.49
IRAK4 Q9NWZ3 1/20 0.48

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
SCHEMBL3534358 0.89 CDK2 (0.69) CDK2IGF1RCDK1CDK4MAPK8
SCHEMBL3538116 0.88 CDK2 (0.61) CDK2IGF1RKCNH2CDK1CDK4
SCHEMBL4804777 0.88 CDK2 (0.72) CDK2IGF1RCDK1CDK4PLK4
SCHEMBL3542584 0.86 CDK2 (0.59) CDK2IGF1RKCNH2CDK1CDK4
SCHEMBL3542436 0.86 CDK2 (0.65) CDK2IGF1RCDK1CDK4MAPK8
SCHEMBL27658496 0.85 CDK2 (0.73) CDK2IGF1RCDK1CDK4PLK4
SCHEMBL7978513 0.83 CDK2 (0.69) CDK2IGF1RCDK1CDK4MAPK8
SCHEMBL1684872 0.83 CDK2 (0.70) CDK2IGF1RKCNH2CDK1CDK4
SCHEMBL4805850 0.83 CDK2 (0.68) CDK2IGF1RCDK1CDK4MAPK8
SCHEMBL3539933 0.82 CDK2 (0.60) CDK2IGF1RCDK1CDK4MAPK8

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-7745428-B2 Imidazo[1,2-A]pyridine having anti-cell-proliferation activity ASTRAZENECA AB (SE) 2010-06-29 US claimed