SCHEMBL27770482

SCHEMBL27770482

c1ccc(Nc2ncc3ccccc3n2)cc1.c1ccc(Nc2ncc3ccccc3n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.60
ROCK1 Q13464 1/20 0.55
CDK2 P24941 4/20 0.54
CDK1 P06493 3/20 0.54
GSK3B P49841 3/20 0.54
IGF1R P08069 2/20 0.54
AURKA O14965 2/20 0.54
PDPK1 O15530 2/20 0.54
JAK2 O60674 2/20 0.54
LYN P07948 2/20 0.54
FGFR1 P11362 2/20 0.54
FGFR3 P22607 2/20 0.54
RPS6KB1 P23443 2/20 0.54
MARK3 P27448 2/20 0.54
BLK P51451 2/20 0.54
RPS6KA3 P51812 2/20 0.54
CDK5 Q00535 2/20 0.54
ERBB4 Q15303 2/20 0.54
MARK2 Q7KZI7 2/20 0.54
PLK3 Q9H4B4 2/20 0.54

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
SCHEMBL167891 1.00 MAP3K5 (0.60) MAP3K5ROCK1CDK2CDK1GSK3B
SCHEMBL31381352 1.00 MAP3K5 (0.60) MAP3K5ROCK1CDK2CDK1GSK3B
Benzene SCHEMBL28188863 1.00 MAP3K5 (0.60) MAP3K5ROCK1CDK2CDK1GSK3B
SCHEMBL4573935 0.98 MAP3K5 (0.58) MAP3K5ROCK1CDK2CDK1GSK3B
Hydrochloric Acid SCHEMBL8807679 0.98 MAP3K5 (0.58) MAP3K5ROCK1CDK2CDK1GSK3B
Quinoline SCHEMBL28107595 0.90 ALDH1A1 (0.53) MAP3K5ROCK1CDK2CDK1GSK3B
SCHEMBL6467426 0.88 MAP3K5 (0.54) MAP3K5ROCK1CDK2CDK1GSK3B
SCHEMBL3338544 0.86 AURKA (0.57) MAP3K5ROCK1CDK2CDK1GSK3B
SCHEMBL3339632 0.86 NPY5R (0.55) MAP3K5ROCK1CDK2CDK1AURKA
SCHEMBL6037487 0.86 ROCK1 (0.53) MAP3K5ROCK1CDK2CDK1GSK3B

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
CN-102586431-A Method to determine responsiveness of cancer to epidermal growth factor receptor targeting treatments GEN HOSPITAL CORP 2012-07-18 CN disclosed
CN-101501211-A Method for Determining Responsiveness of Cancer to Epidermal Growth Factor Receptor Targeted Therapy GEN HOSPITAL CORP (US) 2009-08-05 CN disclosed