SCHEMBL5263373

SCHEMBL5263373

CSc1ccc(-c2c(-c3ccc(F)cc3)nc3nc(C)ccn23)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.51
MAPK13 O15264 10/20 0.45
MAPK12 P53778 10/20 0.45
MAPK11 Q15759 10/20 0.45
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
GCGR P47871 2/20 0.36
PTGS2 P35354 2/20 0.35
GRIA1 P42261 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CSNK1E P49674 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL5263026 0.91 AKT1 (0.43) MAPK14MAPK13MAPK12MAPK11AKT1
SCHEMBL5261962 0.90 AKT1 (0.43) MAPK14MAPK13MAPK12MAPK11AKT1
SCHEMBL5260224 0.87 AKT1 (0.41) MAPK14AKT1AKT2
SCHEMBL5262863 0.85 AKT1 (0.41) MAPK14MAPK13MAPK12MAPK11AKT1
SCHEMBL5260597 0.84 GPBAR1 (0.46) MAPK14MAPK13MAPK12MAPK11AKT1
SCHEMBL5261629 0.84 ALDH1A1 (0.46) MAPK14AKT1AKT2PTGS2PTGS1
SCHEMBL5265348 0.84 AKT1 (0.38) MAPK14AKT1AKT2PTGS2PTGS1
SCHEMBL5260566 0.81 MAPK14 (0.35) MAPK14AKT1AKT2PTGS2PTGS1
SCHEMBL5266214 0.81 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11AKT1
SCHEMBL5260859 0.81 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11AKT1

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
EP-1660500-B1 SUBSTITUTED IMIDAZOPYRIMIDINES FOR THE PREVENTION AND TREATMENT OF CANCER S A L V A T LAB SA (ES) 2007-12-12 EP disclosed