SCHEMBL7133302

SCHEMBL7133302

Cc1cn(C)cc1C=C1C(=O)Nc2c(Br)cc(Br)c(C)c21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.32
ALDH1A1 P00352 4/20 0.32
KMT2A Q03164 2/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH2 P05091 1/20 0.32
ALDH3A1 P30838 1/20 0.32
XBP1 P17861 1/20 0.31
MAPK1 P28482 1/20 0.31
NTSR1 P30989 1/20 0.31
EP300 Q09472 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 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
SCHEMBL5359703 0.80 RET (0.37) KMT2AMEN1
SCHEMBL5368634 0.80 KMT2A (0.38) MAPTALDH1A1KMT2ARAB9AMEN1
SCHEMBL7139425 0.80 KMT2A (0.49) MAPTALDH1A1KMT2AMEN1XBP1
SCHEMBL7135625 0.79 KMT2A (0.42) MAPTALDH1A1KMT2ARAB9AMEN1
SCHEMBL7134045 0.79 KMT2A (0.42) MAPTALDH1A1KMT2ARAB9AMEN1
SCHEMBL7138169 0.78 POLB (0.42) MAPTALDH1A1KMT2ARAB9AMEN1
SCHEMBL7133179 0.77 KMT2A (0.60) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL7135552 0.76 ERBB2 (0.34) MAPTALDH1A1KMT2AMEN1ALDH2
SCHEMBL7139869 0.75 PTPN1 (0.43) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL7134889 0.75 DYRK1A (0.39) MAPTALDH1A1KMT2AMEN1XBP1

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
US-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 US disclosed