SCHEMBL27716481

SCHEMBL27716481

CCOC(=O)Cn1cc(Br)c(-c2ccncc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.48
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
PPID Q08752 1/20 0.40
CDC7 O00311 2/20 0.39
DBF4 Q9UBU7 2/20 0.39
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPM2 O94759 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL16532120 0.78 GSK3A (0.44) MAPK1TSHRHSD17B10ALDH1A1KDM4E
SCHEMBL12684917 0.77 MAPK1 (0.44) MAPK14MAPK1NPSR1MEN1KMT2A
SCHEMBL4138280 0.77 MAPK1 (0.39) MAPK1NPSR1MEN1KMT2AGAA
SCHEMBL9877233 0.74 MEN1 (0.56) MEN1KMT2AGAATSHRALDH1A1
SCHEMBL1386186 0.72 MAPK14 (0.55) MAPK14MEN1KMT2AGAAHSD17B10
SCHEMBL16532144 0.72 HSD17B10 (0.39) MAPK1TSHRHSD17B10ALDH1A1HPGD
SCHEMBL2145771 0.72 BRAF (0.48) MAPK14MAPK1MEN1KMT2A
SCHEMBL9877113 0.72 GAA (0.52) MAPK14MAPK1NPSR1MEN1KMT2A
SCHEMBL22057237 0.72 NPSR1 (0.40) MAPK14MAPK1NPSR1HSD17B10ALDH1A1
SCHEMBL13163211 0.72 MEN1 (0.51) MAPK14MAPK1NPSR1MEN1KMT2A

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