SCHEMBL7136014

SCHEMBL7136014

O=C1Nc2c(Br)cc(Br)cc2C1=Cc1ccc(Br)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.56
▸ MEN1 O00255 5/20 0.56
▸ ALPL P05186 1/20 0.56
▸ HSP90AA1 P07900 1/20 0.56
▸ ALPI P09923 1/20 0.56
▸ ALPG P10696 1/20 0.56
▸ G6PD P11413 1/20 0.56
▸ POLB P06746 2/20 0.49
▸ PKM P14618 1/20 0.44
▸ MAPT P10636 3/20 0.40
▸ NTSR1 P30989 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ TNFRSF1A P19438 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ EGFR P00533 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL5362932 0.84 ERBB2 (0.49) KMT2AMEN1ALPLHSP90AA1ALPI
SCHEMBL7139474 0.81 MAPT (0.42) KMT2AMEN1ALPLHSP90AA1ALPI
SCHEMBL5358279 0.79 KMT2A (0.38) KMT2AMEN1ALPLHSP90AA1ALPI
SCHEMBL5365589 0.77 KMT2A (0.51) KMT2AMEN1SIRT1SIRT2SIRT3
SCHEMBL7135755 0.76 KMT2A (0.53) KMT2AMEN1ALPLHSP90AA1ALPI
SCHEMBL5358437 0.76 LRRK2 (0.49) KMT2AMEN1POLBMAPK1LMNA
SCHEMBL5361431 0.75 METAP1 (0.54) KMT2AMEN1MAPTSIRT1SIRT2
SCHEMBL5365774 0.75 IKBKB (0.41) KMT2AMEN1ALPIPOLBMAPT
SCHEMBL7139388 0.75 MAPT (0.55) KMT2AMEN1POLBPKMMAPT
SCHEMBL13587016 0.75 MEN1 (0.76) KMT2AMEN1ALPLHSP90AA1ALPI

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
Send feedback