SCHEMBL5432258

SCHEMBL5432258

CC(=O)Nc1ccc(N/C=C2\C(=O)Nc3cc(Br)ccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.48
NTRK3 Q16288 1/20 0.47
PIM1 P11309 2/20 0.47
PIM3 Q86V86 2/20 0.47
PIM2 Q9P1W9 2/20 0.47
TGM2 P21980 2/20 0.47
RAB9A P51151 2/20 0.46
GSK3B P49841 3/20 0.46
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PDPK1 O15530 1/20 0.44
CCNB2 O95067 3/20 0.43
CDK1 P06493 3/20 0.43
CCNB1 P14635 3/20 0.43
CCNB3 Q8WWL7 3/20 0.43
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL5432259 1.00 LRRK2 (0.48) LRRK2NTRK3PIM1PIM3PIM2
SCHEMBL5428629 0.84 LRRK2 (0.52) LRRK2NTRK3TGM2GSK3BMAPT
SCHEMBL5428630 0.84 LRRK2 (0.52) LRRK2NTRK3TGM2GSK3BMAPT
SCHEMBL5432436 0.83 TGM2 (0.49) PIM1PIM3PIM2TGM2MAPT
SCHEMBL5432442 0.83 TGM2 (0.49) PIM1PIM3PIM2TGM2MAPT
SCHEMBL4994736 0.83 MAPT (0.59) LRRK2NTRK3TGM2GSK3BMAPT
SCHEMBL4994739 0.83 MAPT (0.59) LRRK2NTRK3TGM2GSK3BMAPT
SCHEMBL5873845 0.80 TGM2 (0.43) PIM1PIM3PIM2TGM2CCNB2
SCHEMBL5422752 0.80 TGM2 (0.43) PIM1PIM3PIM2TGM2CCNB2
SCHEMBL5422747 0.80 TGM2 (0.43) PIM1PIM3PIM2TGM2CCNB2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350747-B1 PROTEIN SERINE/THREONINE KINASE AND PROTEIN TYROSINE KINASE ENZYME INHIBITORS; ANGIOGENESIS INHIBITORS; ANTITUMOR AND ANTIPROLIFERATIVE AGENTS GLAXO WELLCOME INC. 2002-02-26 US claimed
EP-1165514-A1 3-(ANILINOMETHYLENE) OXINDOLES AS PROTEIN TYROSINE KINASE AND PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-01-02 EP claimed
WO-2000056710-A1 3-(ANILINOMETHYLENE) OXINDOLES AS PROTEIN TYROSINE KINASE AND PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-09-28 WO claimed
US-20070213403-A1 TAMOXIFEN RESPONSE IN PRE-AND POSTMENOPAUSAL BREAST CANCER PATIENTS FORSKARPATENT I SYD AB (SE) 2007-09-13 US disclosed