SCHEMBL15327832

SCHEMBL15327832

C=Cc1ccnc(-c2ccccc2)c1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.46
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.40
NTRK1 P04629 1/20 0.40
PIM1 P11309 1/20 0.40
SRC P12931 1/20 0.38
BRAF P15056 1/20 0.38
KDR P35968 1/20 0.38
EGFR P00533 1/20 0.38
BTK Q06187 5/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
MAP2K1 Q02750 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36

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
SCHEMBL4153937 0.80 GAA (0.40) CDC7MEN1GAAKMT2APOLB
SCHEMBL14917460 0.78 MEN1 (0.47) CDC7MEN1GAAKMT2APOLB
SCHEMBL27907482 0.76 MEN1 (0.54) CDC7MEN1GAAKMT2APOLB
SCHEMBL27514880 0.76 MEN1 (0.46) CDC7MEN1GAAKMT2APOLB
SCHEMBL1533663 0.74 MEN1 (0.48) CDC7MEN1GAAKMT2APOLB
SCHEMBL554431 0.74 PTGS1 (0.38) KMT2AEGFRKDM4EALDH1A1
SCHEMBL27567534 0.74 MEN1 (0.41) CDC7MEN1GAAKMT2APOLB
SCHEMBL25229271 0.73 MEN1 (0.47) MEN1GAAKMT2APOLBNTRK1
SCHEMBL6266210 0.73 TRPV1 (0.44) CDC7MEN1GAAKMT2APOLB
SCHEMBL15327834 0.73 CDC7 (0.46) CDC7MEN1GAAKMT2APOLB

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-2066627-B1 NOVEL MINOR GROOVE BINDERS UNIV STRATHCLYDE (GB) 2013-10-23 EP claimed