SCHEMBL2947657

SCHEMBL2947657

CCOc1cnc(Cl)cc1-c1cccc2cc(-c3nc(Cl)ncc3F)sc12

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.33
ALDH1A1 P00352 2/20 0.33
AAK1 Q2M2I8 3/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
GRM5 P41594 1/20 0.31
MAPK14 Q16539 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL27774845 0.90 AAK1 (0.32) ALDH1A1AAK1GAA
SCHEMBL388969 0.87 PIP4K2A (0.33) ALDH1A1FGFR1FGFR2KDM4EMEN1
SCHEMBL27795770 0.82
SCHEMBL594718 0.79 CCND1 (0.32) CDK4CCND1
SCHEMBL391679 0.78 ALDH1A1 (0.31) ALDH1A1GAA
SCHEMBL391784 0.77 SCN9A (0.37) CDK4CCND1
SCHEMBL391723 0.77 ALDH1A1 (0.37) POLQALDH1A1FGFR1KDM4EGAA
SCHEMBL594142 0.76 CA12 (0.30)
SCHEMBL2923179 0.74 TDO2 (0.39) FGFR1KDM4ECDK4CCND1MAPK14
SCHEMBL2919380 0.74 ALDH1A1 (0.36) POLQALDH1A1FGFR1FGFR2GRM5

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-2125793-B1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2010-09-01 EP disclosed