SCHEMBL5315261

SCHEMBL5315261

CNc1cc(-c2ccc(F)cc2F)c2nc(Nc3ccc(CN4CCOCC4)cn3)sc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.37
EGFR P00533 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
CDK6 Q00534 5/20 0.37
CCND3 P30281 3/20 0.37
CCND1 P24385 3/20 0.37
CDK4 P11802 2/20 0.37
MERTK Q12866 2/20 0.37
MET P08581 1/20 0.37
CNR2 P34972 1/20 0.37
KDR P35968 2/20 0.36
CHRM4 P08173 1/20 0.36
DYRK2 Q92630 1/20 0.36
CDK9 P50750 2/20 0.36
CCNT1 O60563 1/20 0.36
GRIN2B Q13224 1/20 0.36
CDK1 P06493 2/20 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
SCHEMBL5311867 0.91 MERTK (0.45) CDK6CCND3CDK4MERTKMET
SCHEMBL5313507 0.90 DYRK2 (0.45) CDK6CCND3CCND1CDK4MERTK
SCHEMBL5315552 0.90 BDKRB1 (0.40) BDKRB1CDK6CCND3CCND1CDK4
SCHEMBL5314023 0.89 KDR (0.47) EGFRJAK2JAK1TYK2JAK3
SCHEMBL5314922 0.87 PDE1B (0.35) CDK6CCND3CCND1CDK4MERTK
SCHEMBL5336063 0.85 GRM2 (0.37) CDK6CCND3CCND1CDK4MERTK
SCHEMBL5315878 0.83 ABL1 (0.46) EGFRCCNT1
SCHEMBL5311883 0.81 TNIK (0.45) CDK6CCND3CDK4MERTKKDR
SCHEMBL5333643 0.81 KDR (0.46) EGFRJAK2JAK1TYK2JAK3
SCHEMBL5334782 0.80 MERTK (0.43) MERTKMETKDR

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
WO-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed