SCHEMBL27716487

SCHEMBL27716487

CCOC(=O)Cn1ncc(Br)c1-c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
MAPK14 Q16539 2/20 0.48
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 2/20 0.41
S1PR1 P21453 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
PPID Q08752 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 2/20 0.39

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
SCHEMBL10413532 0.81 MAPK14 (0.59) SMN1; SMN2MAPK14MEN1KMT2AS1PR1
SCHEMBL20553301 0.78 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ATSHRS1PR1
SCHEMBL4128170 0.77 ALDH1A1 (0.36) SMN1; SMN2MAPK14MEN1KMT2AS1PR1
SCHEMBL9877095 0.75 SMN1; SMN2 (0.76) SMN1; SMN2MEN1KMT2ATSHRS1PR1
SCHEMBL2896401 0.74 ALDH1A1 (0.66) SMN1; SMN2MEN1KMT2AS1PR1ALDH1A1
SCHEMBL9878548 0.74 SMN1; SMN2 (0.67) SMN1; SMN2MEN1KMT2ATSHRS1PR1
SCHEMBL10413222 0.74 SMN1; SMN2 (0.54) SMN1; SMN2MAPK14MEN1KMT2ATSHR
SCHEMBL9877800 0.73 SMN1; SMN2 (0.58) SMN1; SMN2MAPK14MEN1KMT2ATSHR
SCHEMBL4125843 0.72 MAPK14 (0.37) MAPK14CDC7MAPK1
SCHEMBL27716481 0.72 MAPK14 (0.48) SMN1; SMN2MAPK14MEN1KMT2ATSHR

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
CN-101282960-A RAF inhibitor compounds and methods GENENTECH INC (US) 2008-10-08 CN disclosed