SCHEMBL7148388

SCHEMBL7148388

Cc1cccc(-c2[nH]ncc2-c2ccncc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.67
RPS6KA3 P51812 2/20 0.67
AURKA O14965 1/20 0.67
CDK1 P06493 1/20 0.67
LYN P07948 1/20 0.67
PIM1 P11309 1/20 0.67
FGFR1 P11362 1/20 0.67
PRKACA P17612 1/20 0.67
RPS6KB1 P23443 1/20 0.67
CDK2 P24941 1/20 0.67
MARK3 P27448 1/20 0.67
GSK3B P49841 1/20 0.67
PRKCZ Q05513 1/20 0.67
PRKCD Q05655 1/20 0.67
ERBB4 Q15303 1/20 0.67
CDC42BPA Q5VT25 1/20 0.67
MARK2 Q7KZI7 1/20 0.67
AKT3 Q9Y243 1/20 0.67
EPHX2 P34913 1/20 0.64
MAPK8 P45983 1/20 0.61

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
SCHEMBL8119122 0.84 TGFBR1 (0.48) AKT1RPS6KA3AURKACDK1LYN
SCHEMBL6132035 0.83 TGFBR1 (0.61) AKT1RPS6KA3AURKACDK1LYN
SCHEMBL8111644 0.82 TGFBR1 (0.46) AKT1RPS6KA3AURKACDK1LYN
SCHEMBL14519516 0.82 EGFR (0.63) AKT1RPS6KA3AURKACDK1LYN
SCHEMBL6132075 0.81 MAPK14 (0.71) AKT1RPS6KA3AURKACDK1LYN
SCHEMBL6076343 0.80 RPS6KA3 (1.00) AKT1RPS6KA3AURKACDK1LYN
SCHEMBL6073381 0.80 RPS6KA3 (1.00) AKT1RPS6KA3AURKACDK1LYN
SCHEMBL14336014 0.76 RPS6KA3 (0.58) AKT1RPS6KA3AURKACDK1LYN
SCHEMBL19302646 0.75 AKT2 (0.68) AKT1RPS6KA3AURKACDK1LYN
SCHEMBL91416 0.74 RAB9A (0.59) MAPK14CDC7

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-6525059-B1 Mitogen-activated protein kinases (MAP); G. D. SEARLE & COMPANY 2003-02-25 US disclosed