SCHEMBL31452004

SCHEMBL31452004

COc1ccc(CN2C(=O)c3c(c(Br)cc4c(N)nnc(C)c34)C2c2cc(F)ccc2Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
PIK3R1 P27986 2/20 0.36
PIK3CA P42336 2/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
POLB P06746 4/20 0.34
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PARK7 Q99497 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALOX12 P18054 1/20 0.32
NTSR1 P30989 1/20 0.32
HTT P42858 1/20 0.32
PAX8 Q06710 1/20 0.32
TLR9 Q9NR96 1/20 0.32
P2RX7 Q99572 1/20 0.31
CHRM5 P08912 1/20 0.31

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
SCHEMBL31451670 0.86 PIK3R1 (0.49) MAPTPIK3R1PIK3CAKMT2AMEN1
SCHEMBL31451865 0.84 MAPT (0.39) MAPTPIK3R1PIK3CAKMT2AMEN1
SCHEMBL30855702 0.83 MAPT (0.40) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL30930589 0.83 MAPT (0.39) MAPTPIK3R1PIK3CAKMT2AMEN1
SCHEMBL31451874 0.82 MAP2K4 (0.39) MAPTPIK3R1PIK3CAKMT2AMEN1
SCHEMBL30930580 0.81 MAPT (0.39) MAPTPIK3R1PIK3CAKMT2AMEN1
SCHEMBL30930569 0.81 MAPT (0.40) MAPTPIK3R1PIK3CAKMT2AMEN1
SCHEMBL31451956 0.81 MAPT (0.40) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL31451954 0.81 MAPT (0.38) MAPTPIK3R1PIK3CAKMT2AMEN1
SCHEMBL31451875 0.80 MAPT (0.41) MAPTPIK3R1PIK3CAKMT2AMEN1

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-119954810-A Regulator of fused ring derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-05-09 CN disclosed