SCHEMBL7136390

SCHEMBL7136390

Cc1c(Br)cc(Br)c2c1C(=Cc1cccs1)C(=O)N2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.46
KMT2A Q03164 10/20 0.45
ALDH1A1 P00352 9/20 0.45
MAPK1 P28482 3/20 0.45
NTSR1 P30989 2/20 0.45
XBP1 P17861 1/20 0.45
PDPK1 O15530 1/20 0.42
MEN1 O00255 8/20 0.41
PKM P14618 6/20 0.41
HPGD P15428 4/20 0.41
LMNA P02545 4/20 0.41
HTT P42858 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MCL1 Q07820 2/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL7139714 0.82 MAPT (0.40) MAPTKMT2AALDH1A1MAPK1NTSR1
SCHEMBL7131337 0.81 KDR (0.51) MAPTKMT2AALDH1A1MAPK1NTSR1
SCHEMBL7135755 0.81 KMT2A (0.53) MAPTKMT2AALDH1A1MAPK1NTSR1
SCHEMBL7134821 0.81 KMT2A (0.43) MAPTKMT2AALDH1A1MAPK1MEN1
SCHEMBL7137624 0.80 KMT2A (0.48) MAPTKMT2AALDH1A1MAPK1NTSR1
SCHEMBL7136101 0.79 RET (0.44) KMT2AMEN1HPGDGAAPOLB
SCHEMBL7130491 0.79 KMT2A (0.48) MAPTKMT2AALDH1A1MAPK1NTSR1
SCHEMBL7135552 0.79 ERBB2 (0.34) MAPTKMT2AALDH1A1MAPK1NTSR1
SCHEMBL7138169 0.78 POLB (0.42) MAPTKMT2AALDH1A1MAPK1NTSR1
SCHEMBL7134889 0.78 DYRK1A (0.39) MAPTKMT2AALDH1A1MAPK1NTSR1

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 3 patents. 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
EP-0984930-A1 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY Sugen, Inc. (US) 2000-03-15 EP disclosed
WO-1998050356-A1 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY SUGEN, INC. (US) 1998-11-12 WO disclosed